USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 685 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 21 CYS SG : rot 150:sc= 0.843 USER MOD Set 1.2: A 24 CYS SG : rot -55:sc= 0.695 USER MOD Set 1.3: A 53 HIS : no HD1:sc= 0.299 K(o=1.2,f=0.54) USER MOD Set 1.4: A 56 CYS SG : rot 141:sc= -0.65 USER MOD Set 2.1: A 55 SER OG : rot 180:sc= 0.0379 USER MOD Set 2.2: A 59 LYS NZ :NH3+ -147:sc= 0.595 (180deg=0.18) USER MOD Set 3.1: A 20 SER OG : rot -170:sc= 0.916 USER MOD Set 3.2: A 22 LYS NZ :NH3+ -158:sc= 1.06 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -154:sc= 1.11 (180deg=0.703) USER MOD Single : A 9 TYR OH : rot -143:sc= 0.977 USER MOD Single : A 13 TYR OH : rot -5:sc= 1.69 USER MOD Single : A 15 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00135) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 160:sc= 0.763 (180deg=0.509) USER MOD Single : A 32 SER OG : rot -160:sc= 0 USER MOD Single : A 35 MET CE :methyl -176:sc= 0 (180deg=-0.024) USER MOD Single : A 38 MET CE :methyl 160:sc= -1.51 (180deg=-3.02!) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0.677 USER MOD Single : A 43 MET CE :methyl 132:sc=-0.00632 (180deg=-1.19) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 HIS : no HD1:sc= -0.341 X(o=-0.34,f=-0.16) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= -0.202 X(o=-0.2,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -0.698 X(o=-0.7,f=-0.25) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 1.03 K(o=1,f=-0.35) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 84 LYS NZ :NH3+ -145:sc= 1.22 (180deg=0.54) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 69:sc= 1.27 USER MOD ----------------------------------------------------------------- ATOM 79 N LYS A 7 -4.700 -4.786 11.582 1.00 0.00 N ATOM 80 CA LYS A 7 -4.780 -4.490 10.152 1.00 0.00 C ATOM 81 C LYS A 7 -3.667 -5.248 9.435 1.00 0.00 C ATOM 82 O LYS A 7 -2.589 -5.463 9.988 1.00 0.00 O ATOM 83 CB LYS A 7 -4.763 -2.971 9.863 1.00 0.00 C ATOM 84 CG LYS A 7 -4.175 -2.045 10.939 1.00 0.00 C ATOM 85 CD LYS A 7 -2.670 -2.239 11.180 1.00 0.00 C ATOM 86 CE LYS A 7 -2.179 -1.176 12.176 1.00 0.00 C ATOM 87 NZ LYS A 7 -0.698 -1.100 12.242 1.00 0.00 N ATOM 0 HA LYS A 7 -5.740 -4.832 9.765 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.204 -2.811 8.941 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.788 -2.655 9.672 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.355 -1.010 10.650 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.706 -2.211 11.876 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.478 -3.238 11.571 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.125 -2.154 10.240 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -2.577 -0.203 11.889 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -2.573 -1.402 13.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -0.410 -0.736 13.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.295 -2.049 12.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -0.350 -0.463 11.498 1.00 0.00 H new ATOM 101 N LEU A 8 -3.961 -5.671 8.213 1.00 0.00 N ATOM 102 CA LEU A 8 -3.119 -6.508 7.365 1.00 0.00 C ATOM 103 C LEU A 8 -2.547 -5.744 6.168 1.00 0.00 C ATOM 104 O LEU A 8 -1.697 -6.293 5.473 1.00 0.00 O ATOM 105 CB LEU A 8 -3.883 -7.785 6.970 1.00 0.00 C ATOM 106 CG LEU A 8 -5.094 -7.602 6.031 1.00 0.00 C ATOM 107 CD1 LEU A 8 -5.477 -8.964 5.453 1.00 0.00 C ATOM 108 CD2 LEU A 8 -6.338 -7.019 6.711 1.00 0.00 C ATOM 0 H LEU A 8 -4.842 -5.426 7.761 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.243 -6.813 7.937 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.181 -8.468 6.492 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.229 -8.271 7.882 1.00 0.00 H new ATOM 0 HG LEU A 8 -4.780 -6.890 5.268 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.332 -8.849 4.787 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -4.635 -9.372 4.895 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.738 -9.643 6.265 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.141 -6.924 5.980 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -6.657 -7.681 7.516 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -6.102 -6.037 7.121 1.00 0.00 H new ATOM 120 N TYR A 9 -2.962 -4.488 5.954 1.00 0.00 N ATOM 121 CA TYR A 9 -2.524 -3.657 4.834 1.00 0.00 C ATOM 122 C TYR A 9 -2.002 -2.310 5.347 1.00 0.00 C ATOM 123 O TYR A 9 -2.365 -1.852 6.432 1.00 0.00 O ATOM 124 CB TYR A 9 -3.665 -3.463 3.816 1.00 0.00 C ATOM 125 CG TYR A 9 -4.372 -4.720 3.335 1.00 0.00 C ATOM 126 CD1 TYR A 9 -3.625 -5.816 2.867 1.00 0.00 C ATOM 127 CD2 TYR A 9 -5.778 -4.790 3.333 1.00 0.00 C ATOM 128 CE1 TYR A 9 -4.269 -6.983 2.414 1.00 0.00 C ATOM 129 CE2 TYR A 9 -6.434 -5.953 2.880 1.00 0.00 C ATOM 130 CZ TYR A 9 -5.678 -7.050 2.410 1.00 0.00 C ATOM 131 OH TYR A 9 -6.298 -8.163 1.936 1.00 0.00 O ATOM 0 H TYR A 9 -3.625 -4.016 6.569 1.00 0.00 H new ATOM 0 HA TYR A 9 -1.708 -4.166 4.320 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -4.410 -2.803 4.261 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -3.260 -2.946 2.946 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -2.546 -5.762 2.855 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.358 -3.948 3.681 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -3.686 -7.825 2.070 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -7.513 -6.005 2.892 1.00 0.00 H new ATOM 0 HH TYR A 9 -7.116 -7.905 1.462 1.00 0.00 H new ATOM 141 N ARG A 10 -1.155 -1.664 4.549 1.00 0.00 N ATOM 142 CA ARG A 10 -0.523 -0.365 4.804 1.00 0.00 C ATOM 143 C ARG A 10 -0.491 0.432 3.497 1.00 0.00 C ATOM 144 O ARG A 10 -0.326 -0.169 2.440 1.00 0.00 O ATOM 145 CB ARG A 10 0.873 -0.622 5.415 1.00 0.00 C ATOM 146 CG ARG A 10 1.924 0.504 5.334 1.00 0.00 C ATOM 147 CD ARG A 10 1.562 1.775 6.115 1.00 0.00 C ATOM 148 NE ARG A 10 1.610 1.576 7.577 1.00 0.00 N ATOM 149 CZ ARG A 10 2.471 2.086 8.442 1.00 0.00 C ATOM 150 NH1 ARG A 10 3.477 2.850 8.118 1.00 0.00 N ATOM 151 NH2 ARG A 10 2.316 1.825 9.705 1.00 0.00 N ATOM 0 H ARG A 10 -0.872 -2.055 3.650 1.00 0.00 H new ATOM 0 HA ARG A 10 -1.082 0.237 5.520 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.735 -0.873 6.467 1.00 0.00 H new ATOM 0 HB3 ARG A 10 1.292 -1.503 4.929 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.875 0.123 5.707 1.00 0.00 H new ATOM 0 HG3 ARG A 10 2.075 0.767 4.287 1.00 0.00 H new ATOM 0 HD2 ARG A 10 2.249 2.575 5.838 1.00 0.00 H new ATOM 0 HD3 ARG A 10 0.562 2.100 5.829 1.00 0.00 H new ATOM 0 HE ARG A 10 0.889 0.970 7.969 1.00 0.00 H new ATOM 0 HH11 ARG A 10 3.640 3.091 7.140 1.00 0.00 H new ATOM 0 HH12 ARG A 10 4.100 3.207 8.842 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.542 1.237 10.013 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.969 2.208 10.389 1.00 0.00 H new ATOM 165 N VAL A 11 -0.641 1.753 3.556 1.00 0.00 N ATOM 166 CA VAL A 11 -0.430 2.706 2.452 1.00 0.00 C ATOM 167 C VAL A 11 0.187 4.004 2.981 1.00 0.00 C ATOM 168 O VAL A 11 -0.147 4.441 4.082 1.00 0.00 O ATOM 169 CB VAL A 11 -1.752 2.962 1.703 1.00 0.00 C ATOM 170 CG1 VAL A 11 -2.704 3.917 2.434 1.00 0.00 C ATOM 171 CG2 VAL A 11 -1.509 3.562 0.312 1.00 0.00 C ATOM 0 H VAL A 11 -0.928 2.219 4.417 1.00 0.00 H new ATOM 0 HA VAL A 11 0.272 2.275 1.738 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.212 1.976 1.638 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.612 4.047 1.845 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.960 3.500 3.408 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.217 4.883 2.569 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.465 3.728 -0.185 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -0.982 4.511 0.412 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.907 2.874 -0.281 1.00 0.00 H new ATOM 181 N GLU A 12 1.104 4.616 2.233 1.00 0.00 N ATOM 182 CA GLU A 12 1.794 5.845 2.633 1.00 0.00 C ATOM 183 C GLU A 12 2.560 6.468 1.465 1.00 0.00 C ATOM 184 O GLU A 12 2.969 5.790 0.517 1.00 0.00 O ATOM 185 CB GLU A 12 2.777 5.585 3.795 1.00 0.00 C ATOM 186 CG GLU A 12 3.808 4.487 3.501 1.00 0.00 C ATOM 187 CD GLU A 12 4.808 4.339 4.655 1.00 0.00 C ATOM 188 OE1 GLU A 12 4.374 4.055 5.797 1.00 0.00 O ATOM 189 OE2 GLU A 12 6.030 4.473 4.400 1.00 0.00 O ATOM 0 H GLU A 12 1.394 4.268 1.319 1.00 0.00 H new ATOM 0 HA GLU A 12 1.022 6.540 2.962 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.303 6.511 4.028 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.209 5.309 4.684 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.296 3.539 3.337 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.343 4.724 2.581 1.00 0.00 H new ATOM 196 N TYR A 13 2.810 7.769 1.576 1.00 0.00 N ATOM 197 CA TYR A 13 3.800 8.460 0.763 1.00 0.00 C ATOM 198 C TYR A 13 5.217 8.119 1.247 1.00 0.00 C ATOM 199 O TYR A 13 5.511 8.166 2.445 1.00 0.00 O ATOM 200 CB TYR A 13 3.539 9.965 0.826 1.00 0.00 C ATOM 201 CG TYR A 13 2.112 10.373 0.508 1.00 0.00 C ATOM 202 CD1 TYR A 13 1.533 10.014 -0.723 1.00 0.00 C ATOM 203 CD2 TYR A 13 1.366 11.115 1.444 1.00 0.00 C ATOM 204 CE1 TYR A 13 0.249 10.483 -1.063 1.00 0.00 C ATOM 205 CE2 TYR A 13 0.078 11.579 1.113 1.00 0.00 C ATOM 206 CZ TYR A 13 -0.476 11.282 -0.152 1.00 0.00 C ATOM 207 OH TYR A 13 -1.707 11.756 -0.478 1.00 0.00 O ATOM 0 H TYR A 13 2.327 8.376 2.238 1.00 0.00 H new ATOM 0 HA TYR A 13 3.719 8.134 -0.274 1.00 0.00 H new ATOM 0 HB2 TYR A 13 3.791 10.323 1.824 1.00 0.00 H new ATOM 0 HB3 TYR A 13 4.210 10.466 0.129 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.074 9.378 -1.408 1.00 0.00 H new ATOM 0 HD2 TYR A 13 1.782 11.329 2.417 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -0.181 10.231 -2.021 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.486 12.162 1.826 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.910 11.526 -1.409 1.00 0.00 H new ATOM 217 N ALA A 14 6.107 7.788 0.316 1.00 0.00 N ATOM 218 CA ALA A 14 7.489 7.431 0.603 1.00 0.00 C ATOM 219 C ALA A 14 8.334 8.685 0.903 1.00 0.00 C ATOM 220 O ALA A 14 8.691 9.436 -0.006 1.00 0.00 O ATOM 221 CB ALA A 14 8.014 6.614 -0.586 1.00 0.00 C ATOM 0 H ALA A 14 5.881 7.760 -0.678 1.00 0.00 H new ATOM 0 HA ALA A 14 7.558 6.821 1.504 1.00 0.00 H new ATOM 0 HB1 ALA A 14 9.050 6.330 -0.403 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.407 5.717 -0.707 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.958 7.215 -1.494 1.00 0.00 H new ATOM 227 N LYS A 15 8.673 8.908 2.180 1.00 0.00 N ATOM 228 CA LYS A 15 9.530 10.024 2.639 1.00 0.00 C ATOM 229 C LYS A 15 11.028 9.764 2.411 1.00 0.00 C ATOM 230 O LYS A 15 11.803 10.705 2.228 1.00 0.00 O ATOM 231 CB LYS A 15 9.198 10.296 4.122 1.00 0.00 C ATOM 232 CG LYS A 15 9.897 11.512 4.758 1.00 0.00 C ATOM 233 CD LYS A 15 9.541 12.848 4.080 1.00 0.00 C ATOM 234 CE LYS A 15 10.193 14.053 4.776 1.00 0.00 C ATOM 235 NZ LYS A 15 9.600 14.334 6.112 1.00 0.00 N ATOM 0 H LYS A 15 8.356 8.309 2.943 1.00 0.00 H new ATOM 0 HA LYS A 15 9.316 10.911 2.043 1.00 0.00 H new ATOM 0 HB2 LYS A 15 8.120 10.432 4.213 1.00 0.00 H new ATOM 0 HB3 LYS A 15 9.457 9.409 4.700 1.00 0.00 H new ATOM 0 HG2 LYS A 15 9.627 11.566 5.813 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.976 11.366 4.712 1.00 0.00 H new ATOM 0 HD2 LYS A 15 9.859 12.819 3.038 1.00 0.00 H new ATOM 0 HD3 LYS A 15 8.458 12.975 4.080 1.00 0.00 H new ATOM 0 HE2 LYS A 15 11.261 13.868 4.889 1.00 0.00 H new ATOM 0 HE3 LYS A 15 10.087 14.934 4.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 10.064 15.166 6.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 8.582 14.521 6.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 9.739 13.512 6.733 1.00 0.00 H new ATOM 249 N SER A 16 11.424 8.491 2.374 1.00 0.00 N ATOM 250 CA SER A 16 12.780 8.011 2.082 1.00 0.00 C ATOM 251 C SER A 16 12.723 6.669 1.343 1.00 0.00 C ATOM 252 O SER A 16 11.814 5.859 1.571 1.00 0.00 O ATOM 253 CB SER A 16 13.598 7.886 3.371 1.00 0.00 C ATOM 254 OG SER A 16 14.966 7.721 3.043 1.00 0.00 O ATOM 0 H SER A 16 10.775 7.725 2.556 1.00 0.00 H new ATOM 0 HA SER A 16 13.273 8.738 1.437 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.465 8.775 3.988 1.00 0.00 H new ATOM 0 HB3 SER A 16 13.248 7.036 3.957 1.00 0.00 H new ATOM 0 HG SER A 16 15.493 7.642 3.866 1.00 0.00 H new ATOM 260 N GLY A 17 13.679 6.433 0.443 1.00 0.00 N ATOM 261 CA GLY A 17 13.741 5.253 -0.427 1.00 0.00 C ATOM 262 C GLY A 17 14.317 4.022 0.277 1.00 0.00 C ATOM 263 O GLY A 17 15.379 3.536 -0.108 1.00 0.00 O ATOM 0 H GLY A 17 14.456 7.076 0.293 1.00 0.00 H new ATOM 0 HA2 GLY A 17 12.739 5.022 -0.789 1.00 0.00 H new ATOM 0 HA3 GLY A 17 14.351 5.484 -1.301 1.00 0.00 H new ATOM 267 N ARG A 18 13.656 3.566 1.350 1.00 0.00 N ATOM 268 CA ARG A 18 14.156 2.558 2.312 1.00 0.00 C ATOM 269 C ARG A 18 13.208 1.359 2.490 1.00 0.00 C ATOM 270 O ARG A 18 13.166 0.736 3.552 1.00 0.00 O ATOM 271 CB ARG A 18 14.528 3.257 3.641 1.00 0.00 C ATOM 272 CG ARG A 18 15.623 4.334 3.495 1.00 0.00 C ATOM 273 CD ARG A 18 17.005 3.737 3.189 1.00 0.00 C ATOM 274 NE ARG A 18 17.853 4.656 2.408 1.00 0.00 N ATOM 275 CZ ARG A 18 18.555 5.689 2.829 1.00 0.00 C ATOM 276 NH1 ARG A 18 18.544 6.098 4.067 1.00 0.00 N ATOM 277 NH2 ARG A 18 19.302 6.325 1.976 1.00 0.00 N ATOM 0 H ARG A 18 12.721 3.899 1.586 1.00 0.00 H new ATOM 0 HA ARG A 18 15.060 2.110 1.900 1.00 0.00 H new ATOM 0 HB2 ARG A 18 13.634 3.717 4.061 1.00 0.00 H new ATOM 0 HB3 ARG A 18 14.865 2.505 4.354 1.00 0.00 H new ATOM 0 HG2 ARG A 18 15.345 5.023 2.698 1.00 0.00 H new ATOM 0 HG3 ARG A 18 15.679 4.916 4.415 1.00 0.00 H new ATOM 0 HD2 ARG A 18 17.507 3.491 4.125 1.00 0.00 H new ATOM 0 HD3 ARG A 18 16.881 2.804 2.638 1.00 0.00 H new ATOM 0 HE ARG A 18 17.903 4.467 1.407 1.00 0.00 H new ATOM 0 HH11 ARG A 18 17.974 5.612 4.759 1.00 0.00 H new ATOM 0 HH12 ARG A 18 19.106 6.904 4.343 1.00 0.00 H new ATOM 0 HH21 ARG A 18 19.336 6.022 1.003 1.00 0.00 H new ATOM 0 HH22 ARG A 18 19.854 7.127 2.280 1.00 0.00 H new ATOM 291 N ALA A 19 12.455 1.038 1.439 1.00 0.00 N ATOM 292 CA ALA A 19 11.563 -0.118 1.336 1.00 0.00 C ATOM 293 C ALA A 19 11.822 -0.887 0.029 1.00 0.00 C ATOM 294 O ALA A 19 12.245 -0.294 -0.965 1.00 0.00 O ATOM 295 CB ALA A 19 10.115 0.374 1.432 1.00 0.00 C ATOM 0 H ALA A 19 12.450 1.606 0.592 1.00 0.00 H new ATOM 0 HA ALA A 19 11.754 -0.814 2.153 1.00 0.00 H new ATOM 0 HB1 ALA A 19 9.436 -0.476 1.357 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.964 0.876 2.388 1.00 0.00 H new ATOM 0 HB3 ALA A 19 9.913 1.072 0.620 1.00 0.00 H new ATOM 301 N SER A 20 11.562 -2.196 0.005 1.00 0.00 N ATOM 302 CA SER A 20 11.817 -3.074 -1.147 1.00 0.00 C ATOM 303 C SER A 20 10.531 -3.687 -1.684 1.00 0.00 C ATOM 304 O SER A 20 9.763 -4.280 -0.924 1.00 0.00 O ATOM 305 CB SER A 20 12.828 -4.165 -0.797 1.00 0.00 C ATOM 306 OG SER A 20 12.565 -4.736 0.477 1.00 0.00 O ATOM 0 H SER A 20 11.159 -2.689 0.802 1.00 0.00 H new ATOM 0 HA SER A 20 12.243 -2.453 -1.935 1.00 0.00 H new ATOM 0 HB2 SER A 20 12.800 -4.945 -1.558 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.834 -3.746 -0.807 1.00 0.00 H new ATOM 0 HG SER A 20 13.313 -5.313 0.738 1.00 0.00 H new ATOM 312 N CYS A 21 10.308 -3.559 -2.994 1.00 0.00 N ATOM 313 CA CYS A 21 9.121 -4.082 -3.660 1.00 0.00 C ATOM 314 C CYS A 21 9.214 -5.608 -3.796 1.00 0.00 C ATOM 315 O CYS A 21 10.025 -6.137 -4.565 1.00 0.00 O ATOM 316 CB CYS A 21 8.954 -3.383 -5.008 1.00 0.00 C ATOM 317 SG CYS A 21 7.340 -3.846 -5.746 1.00 0.00 S ATOM 0 H CYS A 21 10.954 -3.085 -3.625 1.00 0.00 H new ATOM 0 HA CYS A 21 8.233 -3.875 -3.063 1.00 0.00 H new ATOM 0 HB2 CYS A 21 9.009 -2.302 -4.878 1.00 0.00 H new ATOM 0 HB3 CYS A 21 9.766 -3.665 -5.678 1.00 0.00 H new ATOM 0 HG CYS A 21 6.903 -2.868 -6.483 1.00 0.00 H new ATOM 322 N LYS A 22 8.375 -6.330 -3.049 1.00 0.00 N ATOM 323 CA LYS A 22 8.391 -7.806 -3.019 1.00 0.00 C ATOM 324 C LYS A 22 7.797 -8.448 -4.287 1.00 0.00 C ATOM 325 O LYS A 22 7.872 -9.669 -4.437 1.00 0.00 O ATOM 326 CB LYS A 22 7.693 -8.338 -1.752 1.00 0.00 C ATOM 327 CG LYS A 22 8.066 -7.651 -0.434 1.00 0.00 C ATOM 328 CD LYS A 22 9.540 -7.816 -0.048 1.00 0.00 C ATOM 329 CE LYS A 22 9.791 -7.172 1.314 1.00 0.00 C ATOM 330 NZ LYS A 22 11.241 -7.006 1.582 1.00 0.00 N ATOM 0 H LYS A 22 7.664 -5.915 -2.447 1.00 0.00 H new ATOM 0 HA LYS A 22 9.440 -8.100 -2.993 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.616 -8.249 -1.892 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.916 -9.401 -1.659 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.837 -6.588 -0.511 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.443 -8.054 0.365 1.00 0.00 H new ATOM 0 HD2 LYS A 22 9.801 -8.874 -0.014 1.00 0.00 H new ATOM 0 HD3 LYS A 22 10.177 -7.354 -0.802 1.00 0.00 H new ATOM 0 HE2 LYS A 22 9.300 -6.200 1.353 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.344 -7.787 2.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.398 -6.928 2.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 11.759 -7.830 1.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 11.584 -6.144 1.113 1.00 0.00 H new ATOM 344 N LYS A 23 7.204 -7.647 -5.190 1.00 0.00 N ATOM 345 CA LYS A 23 6.506 -8.107 -6.406 1.00 0.00 C ATOM 346 C LYS A 23 7.340 -7.944 -7.683 1.00 0.00 C ATOM 347 O LYS A 23 7.475 -8.920 -8.423 1.00 0.00 O ATOM 348 CB LYS A 23 5.137 -7.408 -6.488 1.00 0.00 C ATOM 349 CG LYS A 23 4.282 -7.771 -7.716 1.00 0.00 C ATOM 350 CD LYS A 23 4.020 -9.278 -7.876 1.00 0.00 C ATOM 351 CE LYS A 23 3.044 -9.513 -9.033 1.00 0.00 C ATOM 352 NZ LYS A 23 2.761 -10.959 -9.238 1.00 0.00 N ATOM 0 H LYS A 23 7.196 -6.632 -5.092 1.00 0.00 H new ATOM 0 HA LYS A 23 6.349 -9.183 -6.330 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.571 -7.649 -5.588 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.298 -6.330 -6.484 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.326 -7.252 -7.646 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.779 -7.402 -8.613 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.957 -9.802 -8.066 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.609 -9.685 -6.952 1.00 0.00 H new ATOM 0 HE2 LYS A 23 2.111 -8.986 -8.833 1.00 0.00 H new ATOM 0 HE3 LYS A 23 3.459 -9.091 -9.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 2.097 -11.074 -10.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.647 -11.459 -9.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 2.341 -11.357 -8.374 1.00 0.00 H new ATOM 366 N CYS A 24 7.911 -6.759 -7.931 1.00 0.00 N ATOM 367 CA CYS A 24 8.738 -6.485 -9.121 1.00 0.00 C ATOM 368 C CYS A 24 10.265 -6.440 -8.849 1.00 0.00 C ATOM 369 O CYS A 24 11.065 -6.289 -9.779 1.00 0.00 O ATOM 370 CB CYS A 24 8.166 -5.290 -9.907 1.00 0.00 C ATOM 371 SG CYS A 24 8.590 -3.664 -9.182 1.00 0.00 S ATOM 0 H CYS A 24 7.814 -5.956 -7.310 1.00 0.00 H new ATOM 0 HA CYS A 24 8.665 -7.350 -9.780 1.00 0.00 H new ATOM 0 HB2 CYS A 24 8.536 -5.329 -10.931 1.00 0.00 H new ATOM 0 HB3 CYS A 24 7.081 -5.384 -9.956 1.00 0.00 H new ATOM 0 HG CYS A 24 8.203 -3.628 -7.941 1.00 0.00 H new ATOM 376 N SER A 25 10.673 -6.668 -7.593 1.00 0.00 N ATOM 377 CA SER A 25 12.069 -6.840 -7.146 1.00 0.00 C ATOM 378 C SER A 25 12.992 -5.628 -7.368 1.00 0.00 C ATOM 379 O SER A 25 14.214 -5.771 -7.464 1.00 0.00 O ATOM 380 CB SER A 25 12.674 -8.154 -7.674 1.00 0.00 C ATOM 381 OG SER A 25 11.852 -9.273 -7.365 1.00 0.00 O ATOM 0 H SER A 25 10.010 -6.742 -6.822 1.00 0.00 H new ATOM 0 HA SER A 25 12.005 -6.909 -6.060 1.00 0.00 H new ATOM 0 HB2 SER A 25 12.805 -8.086 -8.754 1.00 0.00 H new ATOM 0 HB3 SER A 25 13.664 -8.299 -7.241 1.00 0.00 H new ATOM 0 HG SER A 25 12.265 -10.089 -7.716 1.00 0.00 H new ATOM 387 N GLU A 26 12.423 -4.421 -7.403 1.00 0.00 N ATOM 388 CA GLU A 26 13.148 -3.149 -7.255 1.00 0.00 C ATOM 389 C GLU A 26 13.055 -2.652 -5.798 1.00 0.00 C ATOM 390 O GLU A 26 12.286 -3.185 -4.998 1.00 0.00 O ATOM 391 CB GLU A 26 12.602 -2.102 -8.247 1.00 0.00 C ATOM 392 CG GLU A 26 12.737 -2.540 -9.714 1.00 0.00 C ATOM 393 CD GLU A 26 12.439 -1.381 -10.686 1.00 0.00 C ATOM 394 OE1 GLU A 26 11.285 -0.888 -10.728 1.00 0.00 O ATOM 395 OE2 GLU A 26 13.361 -0.958 -11.425 1.00 0.00 O ATOM 0 H GLU A 26 11.420 -4.294 -7.538 1.00 0.00 H new ATOM 0 HA GLU A 26 14.201 -3.308 -7.488 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.552 -1.912 -8.025 1.00 0.00 H new ATOM 0 HB3 GLU A 26 13.134 -1.161 -8.104 1.00 0.00 H new ATOM 0 HG2 GLU A 26 13.746 -2.913 -9.891 1.00 0.00 H new ATOM 0 HG3 GLU A 26 12.053 -3.365 -9.912 1.00 0.00 H new ATOM 402 N SER A 27 13.804 -1.607 -5.440 1.00 0.00 N ATOM 403 CA SER A 27 13.598 -0.881 -4.175 1.00 0.00 C ATOM 404 C SER A 27 12.887 0.451 -4.423 1.00 0.00 C ATOM 405 O SER A 27 13.131 1.132 -5.419 1.00 0.00 O ATOM 406 CB SER A 27 14.884 -0.730 -3.363 1.00 0.00 C ATOM 407 OG SER A 27 15.440 -2.001 -3.048 1.00 0.00 O ATOM 0 H SER A 27 14.565 -1.239 -6.010 1.00 0.00 H new ATOM 0 HA SER A 27 12.941 -1.487 -3.552 1.00 0.00 H new ATOM 0 HB2 SER A 27 15.608 -0.142 -3.927 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.676 -0.182 -2.444 1.00 0.00 H new ATOM 0 HG SER A 27 16.263 -1.879 -2.530 1.00 0.00 H new ATOM 413 N ILE A 28 11.958 0.804 -3.541 1.00 0.00 N ATOM 414 CA ILE A 28 10.903 1.790 -3.795 1.00 0.00 C ATOM 415 C ILE A 28 11.461 3.215 -3.594 1.00 0.00 C ATOM 416 O ILE A 28 12.009 3.494 -2.524 1.00 0.00 O ATOM 417 CB ILE A 28 9.681 1.480 -2.895 1.00 0.00 C ATOM 418 CG1 ILE A 28 9.148 0.045 -3.152 1.00 0.00 C ATOM 419 CG2 ILE A 28 8.548 2.500 -3.112 1.00 0.00 C ATOM 420 CD1 ILE A 28 8.103 -0.436 -2.139 1.00 0.00 C ATOM 0 H ILE A 28 11.913 0.404 -2.604 1.00 0.00 H new ATOM 0 HA ILE A 28 10.562 1.731 -4.828 1.00 0.00 H new ATOM 0 HB ILE A 28 10.019 1.552 -1.861 1.00 0.00 H new ATOM 0 HG12 ILE A 28 8.712 0.006 -4.150 1.00 0.00 H new ATOM 0 HG13 ILE A 28 9.989 -0.648 -3.144 1.00 0.00 H new ATOM 0 HG21 ILE A 28 7.707 2.252 -2.465 1.00 0.00 H new ATOM 0 HG22 ILE A 28 8.908 3.500 -2.872 1.00 0.00 H new ATOM 0 HG23 ILE A 28 8.226 2.470 -4.153 1.00 0.00 H new ATOM 0 HD11 ILE A 28 7.786 -1.447 -2.395 1.00 0.00 H new ATOM 0 HD12 ILE A 28 8.537 -0.434 -1.139 1.00 0.00 H new ATOM 0 HD13 ILE A 28 7.241 0.231 -2.161 1.00 0.00 H new ATOM 432 N PRO A 29 11.347 4.126 -4.584 1.00 0.00 N ATOM 433 CA PRO A 29 11.842 5.502 -4.482 1.00 0.00 C ATOM 434 C PRO A 29 10.979 6.376 -3.557 1.00 0.00 C ATOM 435 O PRO A 29 9.795 6.102 -3.342 1.00 0.00 O ATOM 436 CB PRO A 29 11.841 6.036 -5.917 1.00 0.00 C ATOM 437 CG PRO A 29 10.670 5.291 -6.553 1.00 0.00 C ATOM 438 CD PRO A 29 10.747 3.915 -5.897 1.00 0.00 C ATOM 0 HA PRO A 29 12.836 5.526 -4.034 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.698 7.116 -5.947 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.780 5.825 -6.428 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.719 5.783 -6.349 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.771 5.229 -7.637 1.00 0.00 H new ATOM 0 HD2 PRO A 29 9.756 3.471 -5.806 1.00 0.00 H new ATOM 0 HD3 PRO A 29 11.349 3.231 -6.495 1.00 0.00 H new ATOM 446 N LYS A 30 11.565 7.464 -3.037 1.00 0.00 N ATOM 447 CA LYS A 30 10.823 8.526 -2.332 1.00 0.00 C ATOM 448 C LYS A 30 10.034 9.439 -3.285 1.00 0.00 C ATOM 449 O LYS A 30 10.219 9.395 -4.501 1.00 0.00 O ATOM 450 CB LYS A 30 11.738 9.294 -1.364 1.00 0.00 C ATOM 451 CG LYS A 30 12.869 10.094 -2.028 1.00 0.00 C ATOM 452 CD LYS A 30 13.620 10.957 -1.000 1.00 0.00 C ATOM 453 CE LYS A 30 12.796 12.182 -0.568 1.00 0.00 C ATOM 454 NZ LYS A 30 13.254 12.717 0.740 1.00 0.00 N ATOM 0 H LYS A 30 12.569 7.635 -3.092 1.00 0.00 H new ATOM 0 HA LYS A 30 10.061 8.040 -1.722 1.00 0.00 H new ATOM 0 HB2 LYS A 30 11.126 9.979 -0.777 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.179 8.583 -0.665 1.00 0.00 H new ATOM 0 HG2 LYS A 30 13.567 9.410 -2.511 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.456 10.732 -2.809 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.859 10.353 -0.125 1.00 0.00 H new ATOM 0 HD3 LYS A 30 14.567 11.288 -1.427 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.875 12.960 -1.327 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.743 11.907 -0.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.934 13.701 0.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.857 12.141 1.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.293 12.684 0.784 1.00 0.00 H new ATOM 468 N ASP A 31 9.143 10.256 -2.719 1.00 0.00 N ATOM 469 CA ASP A 31 8.176 11.108 -3.436 1.00 0.00 C ATOM 470 C ASP A 31 7.240 10.315 -4.384 1.00 0.00 C ATOM 471 O ASP A 31 6.848 10.776 -5.457 1.00 0.00 O ATOM 472 CB ASP A 31 8.890 12.317 -4.073 1.00 0.00 C ATOM 473 CG ASP A 31 7.921 13.426 -4.527 1.00 0.00 C ATOM 474 OD1 ASP A 31 6.997 13.784 -3.756 1.00 0.00 O ATOM 475 OD2 ASP A 31 8.115 13.991 -5.632 1.00 0.00 O ATOM 0 H ASP A 31 9.068 10.350 -1.706 1.00 0.00 H new ATOM 0 HA ASP A 31 7.479 11.521 -2.707 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.597 12.733 -3.355 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.470 11.977 -4.931 1.00 0.00 H new ATOM 480 N SER A 32 6.894 9.092 -3.964 1.00 0.00 N ATOM 481 CA SER A 32 5.979 8.142 -4.619 1.00 0.00 C ATOM 482 C SER A 32 5.018 7.534 -3.586 1.00 0.00 C ATOM 483 O SER A 32 5.215 7.699 -2.380 1.00 0.00 O ATOM 484 CB SER A 32 6.785 7.030 -5.312 1.00 0.00 C ATOM 485 OG SER A 32 7.539 7.551 -6.394 1.00 0.00 O ATOM 0 H SER A 32 7.271 8.711 -3.096 1.00 0.00 H new ATOM 0 HA SER A 32 5.394 8.675 -5.369 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.453 6.557 -4.592 1.00 0.00 H new ATOM 0 HB3 SER A 32 6.108 6.256 -5.674 1.00 0.00 H new ATOM 0 HG SER A 32 7.782 6.823 -7.003 1.00 0.00 H new ATOM 491 N LEU A 33 3.982 6.818 -4.033 1.00 0.00 N ATOM 492 CA LEU A 33 3.016 6.133 -3.169 1.00 0.00 C ATOM 493 C LEU A 33 3.348 4.634 -3.097 1.00 0.00 C ATOM 494 O LEU A 33 3.610 3.993 -4.121 1.00 0.00 O ATOM 495 CB LEU A 33 1.588 6.411 -3.682 1.00 0.00 C ATOM 496 CG LEU A 33 0.484 5.917 -2.729 1.00 0.00 C ATOM 497 CD1 LEU A 33 0.333 6.809 -1.498 1.00 0.00 C ATOM 498 CD2 LEU A 33 -0.875 5.919 -3.423 1.00 0.00 C ATOM 0 H LEU A 33 3.787 6.696 -5.027 1.00 0.00 H new ATOM 0 HA LEU A 33 3.075 6.515 -2.150 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.469 7.483 -3.838 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.460 5.932 -4.653 1.00 0.00 H new ATOM 0 HG LEU A 33 0.786 4.913 -2.432 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.458 6.417 -0.859 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.272 6.827 -0.944 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.078 7.821 -1.811 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.638 5.566 -2.729 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.118 6.932 -3.745 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.841 5.261 -4.291 1.00 0.00 H new ATOM 510 N ARG A 34 3.317 4.068 -1.888 1.00 0.00 N ATOM 511 CA ARG A 34 3.631 2.662 -1.606 1.00 0.00 C ATOM 512 C ARG A 34 2.617 2.043 -0.655 1.00 0.00 C ATOM 513 O ARG A 34 1.950 2.743 0.106 1.00 0.00 O ATOM 514 CB ARG A 34 5.085 2.524 -1.115 1.00 0.00 C ATOM 515 CG ARG A 34 5.407 3.192 0.235 1.00 0.00 C ATOM 516 CD ARG A 34 6.887 2.973 0.593 1.00 0.00 C ATOM 517 NE ARG A 34 7.260 3.652 1.849 1.00 0.00 N ATOM 518 CZ ARG A 34 8.425 4.182 2.171 1.00 0.00 C ATOM 519 NH1 ARG A 34 9.455 4.187 1.371 1.00 0.00 N ATOM 520 NH2 ARG A 34 8.549 4.750 3.330 1.00 0.00 N ATOM 0 H ARG A 34 3.065 4.592 -1.050 1.00 0.00 H new ATOM 0 HA ARG A 34 3.553 2.093 -2.532 1.00 0.00 H new ATOM 0 HB2 ARG A 34 5.323 1.463 -1.039 1.00 0.00 H new ATOM 0 HB3 ARG A 34 5.745 2.945 -1.873 1.00 0.00 H new ATOM 0 HG2 ARG A 34 5.192 4.259 0.182 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.770 2.777 1.016 1.00 0.00 H new ATOM 0 HD2 ARG A 34 7.083 1.905 0.687 1.00 0.00 H new ATOM 0 HD3 ARG A 34 7.514 3.342 -0.218 1.00 0.00 H new ATOM 0 HE ARG A 34 6.527 3.720 2.555 1.00 0.00 H new ATOM 0 HH11 ARG A 34 9.383 3.767 0.444 1.00 0.00 H new ATOM 0 HH12 ARG A 34 10.332 4.611 1.672 1.00 0.00 H new ATOM 0 HH21 ARG A 34 7.756 4.780 3.971 1.00 0.00 H new ATOM 0 HH22 ARG A 34 9.440 5.167 3.601 1.00 0.00 H new ATOM 534 N MET A 35 2.516 0.722 -0.714 1.00 0.00 N ATOM 535 CA MET A 35 1.681 -0.121 0.135 1.00 0.00 C ATOM 536 C MET A 35 2.523 -1.201 0.813 1.00 0.00 C ATOM 537 O MET A 35 3.644 -1.477 0.392 1.00 0.00 O ATOM 538 CB MET A 35 0.512 -0.720 -0.669 1.00 0.00 C ATOM 539 CG MET A 35 -0.525 0.351 -1.023 1.00 0.00 C ATOM 540 SD MET A 35 -2.013 -0.211 -1.897 1.00 0.00 S ATOM 541 CE MET A 35 -2.942 -0.944 -0.519 1.00 0.00 C ATOM 0 H MET A 35 3.045 0.177 -1.395 1.00 0.00 H new ATOM 0 HA MET A 35 1.247 0.496 0.922 1.00 0.00 H new ATOM 0 HB2 MET A 35 0.892 -1.177 -1.582 1.00 0.00 H new ATOM 0 HB3 MET A 35 0.037 -1.512 -0.090 1.00 0.00 H new ATOM 0 HG2 MET A 35 -0.837 0.840 -0.100 1.00 0.00 H new ATOM 0 HG3 MET A 35 -0.036 1.108 -1.636 1.00 0.00 H new ATOM 0 HE1 MET A 35 -3.856 -1.402 -0.899 1.00 0.00 H new ATOM 0 HE2 MET A 35 -2.331 -1.704 -0.032 1.00 0.00 H new ATOM 0 HE3 MET A 35 -3.198 -0.167 0.201 1.00 0.00 H new ATOM 551 N ALA A 36 2.009 -1.789 1.888 1.00 0.00 N ATOM 552 CA ALA A 36 2.670 -2.885 2.598 1.00 0.00 C ATOM 553 C ALA A 36 1.662 -3.906 3.143 1.00 0.00 C ATOM 554 O ALA A 36 0.463 -3.621 3.204 1.00 0.00 O ATOM 555 CB ALA A 36 3.590 -2.324 3.693 1.00 0.00 C ATOM 0 H ALA A 36 1.115 -1.518 2.297 1.00 0.00 H new ATOM 0 HA ALA A 36 3.291 -3.432 1.888 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.077 -3.147 4.216 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.346 -1.683 3.240 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.000 -1.743 4.402 1.00 0.00 H new ATOM 561 N ILE A 37 2.146 -5.080 3.560 1.00 0.00 N ATOM 562 CA ILE A 37 1.323 -6.147 4.139 1.00 0.00 C ATOM 563 C ILE A 37 1.914 -6.630 5.460 1.00 0.00 C ATOM 564 O ILE A 37 3.119 -6.854 5.541 1.00 0.00 O ATOM 565 CB ILE A 37 1.141 -7.272 3.092 1.00 0.00 C ATOM 566 CG1 ILE A 37 -0.195 -7.022 2.371 1.00 0.00 C ATOM 567 CG2 ILE A 37 1.179 -8.689 3.673 1.00 0.00 C ATOM 568 CD1 ILE A 37 -0.449 -7.872 1.129 1.00 0.00 C ATOM 0 H ILE A 37 3.136 -5.320 3.504 1.00 0.00 H new ATOM 0 HA ILE A 37 0.330 -5.769 4.384 1.00 0.00 H new ATOM 0 HB ILE A 37 1.988 -7.231 2.407 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.006 -7.195 3.079 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.241 -5.971 2.085 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.044 -9.415 2.871 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.141 -8.858 4.157 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.379 -8.804 4.405 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.418 -7.612 0.702 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.333 -7.684 0.394 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.444 -8.927 1.403 1.00 0.00 H new ATOM 580 N MET A 38 1.078 -6.822 6.484 1.00 0.00 N ATOM 581 CA MET A 38 1.519 -7.358 7.778 1.00 0.00 C ATOM 582 C MET A 38 1.481 -8.890 7.779 1.00 0.00 C ATOM 583 O MET A 38 0.411 -9.494 7.874 1.00 0.00 O ATOM 584 CB MET A 38 0.700 -6.754 8.937 1.00 0.00 C ATOM 585 CG MET A 38 0.727 -5.218 9.030 1.00 0.00 C ATOM 586 SD MET A 38 2.088 -4.469 9.973 1.00 0.00 S ATOM 587 CE MET A 38 3.521 -5.023 9.022 1.00 0.00 C ATOM 0 H MET A 38 0.081 -6.612 6.442 1.00 0.00 H new ATOM 0 HA MET A 38 2.557 -7.063 7.935 1.00 0.00 H new ATOM 0 HB2 MET A 38 -0.336 -7.077 8.835 1.00 0.00 H new ATOM 0 HB3 MET A 38 1.072 -7.165 9.876 1.00 0.00 H new ATOM 0 HG2 MET A 38 0.758 -4.818 8.016 1.00 0.00 H new ATOM 0 HG3 MET A 38 -0.213 -4.889 9.474 1.00 0.00 H new ATOM 0 HE1 MET A 38 4.374 -4.382 9.243 1.00 0.00 H new ATOM 0 HE2 MET A 38 3.761 -6.052 9.291 1.00 0.00 H new ATOM 0 HE3 MET A 38 3.293 -4.971 7.957 1.00 0.00 H new ATOM 597 N VAL A 39 2.659 -9.519 7.705 1.00 0.00 N ATOM 598 CA VAL A 39 2.833 -10.988 7.692 1.00 0.00 C ATOM 599 C VAL A 39 3.786 -11.455 8.792 1.00 0.00 C ATOM 600 O VAL A 39 4.717 -10.748 9.167 1.00 0.00 O ATOM 601 CB VAL A 39 3.274 -11.476 6.297 1.00 0.00 C ATOM 602 CG1 VAL A 39 4.635 -10.921 5.877 1.00 0.00 C ATOM 603 CG2 VAL A 39 3.292 -13.003 6.166 1.00 0.00 C ATOM 0 H VAL A 39 3.544 -9.014 7.651 1.00 0.00 H new ATOM 0 HA VAL A 39 1.865 -11.441 7.907 1.00 0.00 H new ATOM 0 HB VAL A 39 2.512 -11.084 5.624 1.00 0.00 H new ATOM 0 HG11 VAL A 39 4.892 -11.299 4.888 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.591 -9.832 5.850 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.393 -11.236 6.594 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.611 -13.278 5.161 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.986 -13.423 6.894 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.292 -13.396 6.350 1.00 0.00 H new ATOM 613 N GLN A 40 3.555 -12.653 9.327 1.00 0.00 N ATOM 614 CA GLN A 40 4.431 -13.303 10.308 1.00 0.00 C ATOM 615 C GLN A 40 5.730 -13.801 9.648 1.00 0.00 C ATOM 616 O GLN A 40 5.699 -14.486 8.624 1.00 0.00 O ATOM 617 CB GLN A 40 3.667 -14.420 11.042 1.00 0.00 C ATOM 618 CG GLN A 40 2.864 -15.353 10.114 1.00 0.00 C ATOM 619 CD GLN A 40 2.219 -16.504 10.885 1.00 0.00 C ATOM 620 OE1 GLN A 40 1.052 -16.465 11.257 1.00 0.00 O ATOM 621 NE2 GLN A 40 2.946 -17.565 11.170 1.00 0.00 N ATOM 0 H GLN A 40 2.737 -13.213 9.087 1.00 0.00 H new ATOM 0 HA GLN A 40 4.733 -12.571 11.057 1.00 0.00 H new ATOM 0 HB2 GLN A 40 4.379 -15.018 11.612 1.00 0.00 H new ATOM 0 HB3 GLN A 40 2.985 -13.966 11.761 1.00 0.00 H new ATOM 0 HG2 GLN A 40 2.091 -14.779 9.603 1.00 0.00 H new ATOM 0 HG3 GLN A 40 3.523 -15.755 9.345 1.00 0.00 H new ATOM 0 HE21 GLN A 40 3.919 -17.613 10.867 1.00 0.00 H new ATOM 0 HE22 GLN A 40 2.536 -18.339 11.693 1.00 0.00 H new ATOM 630 N SER A 41 6.881 -13.449 10.226 1.00 0.00 N ATOM 631 CA SER A 41 8.196 -13.712 9.638 1.00 0.00 C ATOM 632 C SER A 41 8.782 -15.071 10.025 1.00 0.00 C ATOM 633 O SER A 41 8.685 -15.478 11.187 1.00 0.00 O ATOM 634 CB SER A 41 9.165 -12.592 10.007 1.00 0.00 C ATOM 635 OG SER A 41 10.406 -12.783 9.346 1.00 0.00 O ATOM 0 H SER A 41 6.926 -12.968 11.125 1.00 0.00 H new ATOM 0 HA SER A 41 8.052 -13.742 8.558 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.741 -11.627 9.729 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.318 -12.574 11.086 1.00 0.00 H new ATOM 0 HG SER A 41 11.020 -12.059 9.588 1.00 0.00 H new ATOM 641 N PRO A 42 9.451 -15.760 9.081 1.00 0.00 N ATOM 642 CA PRO A 42 10.298 -16.903 9.379 1.00 0.00 C ATOM 643 C PRO A 42 11.715 -16.493 9.839 1.00 0.00 C ATOM 644 O PRO A 42 12.454 -17.332 10.360 1.00 0.00 O ATOM 645 CB PRO A 42 10.318 -17.714 8.081 1.00 0.00 C ATOM 646 CG PRO A 42 10.254 -16.629 7.005 1.00 0.00 C ATOM 647 CD PRO A 42 9.380 -15.546 7.642 1.00 0.00 C ATOM 0 HA PRO A 42 9.912 -17.483 10.218 1.00 0.00 H new ATOM 0 HB2 PRO A 42 11.222 -18.317 7.994 1.00 0.00 H new ATOM 0 HB3 PRO A 42 9.471 -18.397 8.018 1.00 0.00 H new ATOM 0 HG2 PRO A 42 11.246 -16.250 6.757 1.00 0.00 H new ATOM 0 HG3 PRO A 42 9.816 -17.006 6.080 1.00 0.00 H new ATOM 0 HD2 PRO A 42 9.739 -14.551 7.378 1.00 0.00 H new ATOM 0 HD3 PRO A 42 8.352 -15.618 7.288 1.00 0.00 H new ATOM 655 N MET A 43 12.106 -15.221 9.656 1.00 0.00 N ATOM 656 CA MET A 43 13.426 -14.674 10.022 1.00 0.00 C ATOM 657 C MET A 43 13.409 -13.848 11.323 1.00 0.00 C ATOM 658 O MET A 43 14.419 -13.784 12.027 1.00 0.00 O ATOM 659 CB MET A 43 13.970 -13.810 8.879 1.00 0.00 C ATOM 660 CG MET A 43 14.369 -14.652 7.660 1.00 0.00 C ATOM 661 SD MET A 43 14.328 -13.727 6.105 1.00 0.00 S ATOM 662 CE MET A 43 12.529 -13.723 5.890 1.00 0.00 C ATOM 0 H MET A 43 11.494 -14.522 9.236 1.00 0.00 H new ATOM 0 HA MET A 43 14.075 -15.532 10.198 1.00 0.00 H new ATOM 0 HB2 MET A 43 13.215 -13.081 8.584 1.00 0.00 H new ATOM 0 HB3 MET A 43 14.835 -13.248 9.230 1.00 0.00 H new ATOM 0 HG2 MET A 43 15.373 -15.047 7.813 1.00 0.00 H new ATOM 0 HG3 MET A 43 13.698 -15.508 7.583 1.00 0.00 H new ATOM 0 HE1 MET A 43 12.193 -12.714 5.652 1.00 0.00 H new ATOM 0 HE2 MET A 43 12.258 -14.396 5.077 1.00 0.00 H new ATOM 0 HE3 MET A 43 12.052 -14.057 6.811 1.00 0.00 H new ATOM 672 N PHE A 44 12.273 -13.219 11.639 1.00 0.00 N ATOM 673 CA PHE A 44 12.066 -12.324 12.784 1.00 0.00 C ATOM 674 C PHE A 44 10.985 -12.861 13.742 1.00 0.00 C ATOM 675 O PHE A 44 10.092 -13.612 13.352 1.00 0.00 O ATOM 676 CB PHE A 44 11.746 -10.912 12.262 1.00 0.00 C ATOM 677 CG PHE A 44 11.451 -9.888 13.341 1.00 0.00 C ATOM 678 CD1 PHE A 44 12.498 -9.363 14.122 1.00 0.00 C ATOM 679 CD2 PHE A 44 10.123 -9.486 13.593 1.00 0.00 C ATOM 680 CE1 PHE A 44 12.219 -8.444 15.149 1.00 0.00 C ATOM 681 CE2 PHE A 44 9.846 -8.565 14.618 1.00 0.00 C ATOM 682 CZ PHE A 44 10.894 -8.045 15.398 1.00 0.00 C ATOM 0 H PHE A 44 11.430 -13.325 11.075 1.00 0.00 H new ATOM 0 HA PHE A 44 12.980 -12.276 13.376 1.00 0.00 H new ATOM 0 HB2 PHE A 44 12.589 -10.560 11.667 1.00 0.00 H new ATOM 0 HB3 PHE A 44 10.887 -10.973 11.594 1.00 0.00 H new ATOM 0 HD1 PHE A 44 13.517 -9.667 13.932 1.00 0.00 H new ATOM 0 HD2 PHE A 44 9.317 -9.887 12.997 1.00 0.00 H new ATOM 0 HE1 PHE A 44 13.024 -8.044 15.748 1.00 0.00 H new ATOM 0 HE2 PHE A 44 8.828 -8.257 14.806 1.00 0.00 H new ATOM 0 HZ PHE A 44 10.681 -7.340 16.188 1.00 0.00 H new ATOM 692 N ASP A 45 11.057 -12.462 15.012 1.00 0.00 N ATOM 693 CA ASP A 45 10.207 -12.953 16.107 1.00 0.00 C ATOM 694 C ASP A 45 8.902 -12.137 16.248 1.00 0.00 C ATOM 695 O ASP A 45 8.596 -11.582 17.307 1.00 0.00 O ATOM 696 CB ASP A 45 11.048 -13.025 17.395 1.00 0.00 C ATOM 697 CG ASP A 45 10.312 -13.710 18.563 1.00 0.00 C ATOM 698 OD1 ASP A 45 9.621 -14.735 18.338 1.00 0.00 O ATOM 699 OD2 ASP A 45 10.462 -13.258 19.725 1.00 0.00 O ATOM 0 H ASP A 45 11.732 -11.763 15.322 1.00 0.00 H new ATOM 0 HA ASP A 45 9.861 -13.961 15.881 1.00 0.00 H new ATOM 0 HB2 ASP A 45 11.971 -13.566 17.189 1.00 0.00 H new ATOM 0 HB3 ASP A 45 11.330 -12.015 17.694 1.00 0.00 H new ATOM 704 N GLY A 46 8.147 -12.009 15.151 1.00 0.00 N ATOM 705 CA GLY A 46 6.936 -11.195 15.077 1.00 0.00 C ATOM 706 C GLY A 46 6.458 -10.949 13.645 1.00 0.00 C ATOM 707 O GLY A 46 6.754 -11.713 12.719 1.00 0.00 O ATOM 0 H GLY A 46 8.368 -12.480 14.274 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.141 -11.687 15.638 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.121 -10.236 15.560 1.00 0.00 H new ATOM 711 N LYS A 47 5.707 -9.859 13.475 1.00 0.00 N ATOM 712 CA LYS A 47 5.073 -9.434 12.221 1.00 0.00 C ATOM 713 C LYS A 47 5.936 -8.379 11.523 1.00 0.00 C ATOM 714 O LYS A 47 6.471 -7.482 12.178 1.00 0.00 O ATOM 715 CB LYS A 47 3.654 -8.920 12.529 1.00 0.00 C ATOM 716 CG LYS A 47 2.733 -10.010 13.127 1.00 0.00 C ATOM 717 CD LYS A 47 1.971 -10.830 12.076 1.00 0.00 C ATOM 718 CE LYS A 47 0.878 -10.042 11.341 1.00 0.00 C ATOM 719 NZ LYS A 47 -0.315 -9.794 12.199 1.00 0.00 N ATOM 0 H LYS A 47 5.514 -9.217 14.243 1.00 0.00 H new ATOM 0 HA LYS A 47 4.988 -10.276 11.534 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.719 -8.085 13.226 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.206 -8.536 11.613 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.335 -10.686 13.734 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.013 -9.537 13.795 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.682 -11.214 11.344 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.517 -11.693 12.563 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.285 -9.089 11.004 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.574 -10.591 10.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.025 -9.259 11.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.721 -10.703 12.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.032 -9.247 13.037 1.00 0.00 H new ATOM 733 N VAL A 48 6.063 -8.484 10.202 1.00 0.00 N ATOM 734 CA VAL A 48 6.926 -7.639 9.357 1.00 0.00 C ATOM 735 C VAL A 48 6.158 -7.070 8.152 1.00 0.00 C ATOM 736 O VAL A 48 5.243 -7.735 7.656 1.00 0.00 O ATOM 737 CB VAL A 48 8.183 -8.400 8.882 1.00 0.00 C ATOM 738 CG1 VAL A 48 9.071 -8.801 10.071 1.00 0.00 C ATOM 739 CG2 VAL A 48 7.872 -9.648 8.047 1.00 0.00 C ATOM 0 H VAL A 48 5.552 -9.184 9.664 1.00 0.00 H new ATOM 0 HA VAL A 48 7.251 -6.804 9.978 1.00 0.00 H new ATOM 0 HB VAL A 48 8.712 -7.699 8.236 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.948 -9.335 9.706 1.00 0.00 H new ATOM 0 HG12 VAL A 48 9.388 -7.906 10.607 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.507 -9.447 10.745 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.804 -10.129 7.750 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.278 -10.343 8.640 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.313 -9.360 7.157 1.00 0.00 H new ATOM 749 N PRO A 49 6.497 -5.858 7.666 1.00 0.00 N ATOM 750 CA PRO A 49 5.855 -5.255 6.501 1.00 0.00 C ATOM 751 C PRO A 49 6.457 -5.760 5.182 1.00 0.00 C ATOM 752 O PRO A 49 7.655 -5.615 4.927 1.00 0.00 O ATOM 753 CB PRO A 49 6.040 -3.745 6.674 1.00 0.00 C ATOM 754 CG PRO A 49 7.369 -3.641 7.423 1.00 0.00 C ATOM 755 CD PRO A 49 7.391 -4.894 8.299 1.00 0.00 C ATOM 0 HA PRO A 49 4.801 -5.526 6.444 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.077 -3.231 5.714 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.222 -3.301 7.241 1.00 0.00 H new ATOM 0 HG2 PRO A 49 8.215 -3.618 6.736 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.421 -2.732 8.023 1.00 0.00 H new ATOM 0 HD2 PRO A 49 8.402 -5.295 8.377 1.00 0.00 H new ATOM 0 HD3 PRO A 49 7.060 -4.665 9.312 1.00 0.00 H new ATOM 763 N HIS A 50 5.620 -6.316 4.304 1.00 0.00 N ATOM 764 CA HIS A 50 5.981 -6.635 2.918 1.00 0.00 C ATOM 765 C HIS A 50 5.585 -5.475 2.028 1.00 0.00 C ATOM 766 O HIS A 50 4.413 -5.334 1.714 1.00 0.00 O ATOM 767 CB HIS A 50 5.335 -7.961 2.481 1.00 0.00 C ATOM 768 CG HIS A 50 6.096 -9.169 2.962 1.00 0.00 C ATOM 769 ND1 HIS A 50 6.103 -10.426 2.353 1.00 0.00 N ATOM 770 CD2 HIS A 50 6.910 -9.202 4.054 1.00 0.00 C ATOM 771 CE1 HIS A 50 6.917 -11.189 3.104 1.00 0.00 C ATOM 772 NE2 HIS A 50 7.429 -10.475 4.123 1.00 0.00 N ATOM 0 H HIS A 50 4.658 -6.562 4.538 1.00 0.00 H new ATOM 0 HA HIS A 50 7.059 -6.776 2.833 1.00 0.00 H new ATOM 0 HB2 HIS A 50 4.315 -8.005 2.862 1.00 0.00 H new ATOM 0 HB3 HIS A 50 5.271 -7.987 1.393 1.00 0.00 H new ATOM 0 HD2 HIS A 50 7.109 -8.387 4.734 1.00 0.00 H new ATOM 0 HE1 HIS A 50 7.130 -12.231 2.915 1.00 0.00 H new ATOM 0 HE2 HIS A 50 8.086 -10.817 4.824 1.00 0.00 H new ATOM 780 N TRP A 51 6.546 -4.620 1.681 1.00 0.00 N ATOM 781 CA TRP A 51 6.319 -3.410 0.899 1.00 0.00 C ATOM 782 C TRP A 51 6.173 -3.714 -0.593 1.00 0.00 C ATOM 783 O TRP A 51 6.818 -4.602 -1.142 1.00 0.00 O ATOM 784 CB TRP A 51 7.470 -2.430 1.122 1.00 0.00 C ATOM 785 CG TRP A 51 7.616 -1.935 2.524 1.00 0.00 C ATOM 786 CD1 TRP A 51 8.473 -2.416 3.454 1.00 0.00 C ATOM 787 CD2 TRP A 51 6.884 -0.852 3.170 1.00 0.00 C ATOM 788 NE1 TRP A 51 8.317 -1.710 4.630 1.00 0.00 N ATOM 789 CE2 TRP A 51 7.321 -0.763 4.525 1.00 0.00 C ATOM 790 CE3 TRP A 51 5.880 0.049 2.751 1.00 0.00 C ATOM 791 CZ2 TRP A 51 6.759 0.139 5.437 1.00 0.00 C ATOM 792 CZ3 TRP A 51 5.300 0.953 3.662 1.00 0.00 C ATOM 793 CH2 TRP A 51 5.730 0.991 5.002 1.00 0.00 C ATOM 0 H TRP A 51 7.523 -4.754 1.942 1.00 0.00 H new ATOM 0 HA TRP A 51 5.383 -2.965 1.236 1.00 0.00 H new ATOM 0 HB2 TRP A 51 8.401 -2.913 0.824 1.00 0.00 H new ATOM 0 HB3 TRP A 51 7.330 -1.573 0.463 1.00 0.00 H new ATOM 0 HD1 TRP A 51 9.170 -3.226 3.300 1.00 0.00 H new ATOM 0 HE1 TRP A 51 8.870 -1.869 5.472 1.00 0.00 H new ATOM 0 HE3 TRP A 51 5.554 0.045 1.721 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 7.111 0.179 6.457 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 4.520 1.622 3.330 1.00 0.00 H new ATOM 0 HH2 TRP A 51 5.268 1.676 5.697 1.00 0.00 H new ATOM 804 N TYR A 52 5.356 -2.931 -1.277 1.00 0.00 N ATOM 805 CA TYR A 52 5.256 -2.942 -2.726 1.00 0.00 C ATOM 806 C TYR A 52 4.881 -1.533 -3.219 1.00 0.00 C ATOM 807 O TYR A 52 4.306 -0.735 -2.472 1.00 0.00 O ATOM 808 CB TYR A 52 4.288 -4.046 -3.218 1.00 0.00 C ATOM 809 CG TYR A 52 3.928 -5.226 -2.311 1.00 0.00 C ATOM 810 CD1 TYR A 52 3.031 -5.081 -1.229 1.00 0.00 C ATOM 811 CD2 TYR A 52 4.440 -6.505 -2.612 1.00 0.00 C ATOM 812 CE1 TYR A 52 2.651 -6.207 -0.462 1.00 0.00 C ATOM 813 CE2 TYR A 52 4.058 -7.628 -1.853 1.00 0.00 C ATOM 814 CZ TYR A 52 3.170 -7.482 -0.770 1.00 0.00 C ATOM 815 OH TYR A 52 2.821 -8.565 -0.023 1.00 0.00 O ATOM 0 H TYR A 52 4.732 -2.258 -0.832 1.00 0.00 H new ATOM 0 HA TYR A 52 6.223 -3.196 -3.161 1.00 0.00 H new ATOM 0 HB2 TYR A 52 3.354 -3.556 -3.493 1.00 0.00 H new ATOM 0 HB3 TYR A 52 4.712 -4.461 -4.132 1.00 0.00 H new ATOM 0 HD1 TYR A 52 2.634 -4.106 -0.987 1.00 0.00 H new ATOM 0 HD2 TYR A 52 5.132 -6.624 -3.433 1.00 0.00 H new ATOM 0 HE1 TYR A 52 1.962 -6.090 0.361 1.00 0.00 H new ATOM 0 HE2 TYR A 52 4.447 -8.604 -2.102 1.00 0.00 H new ATOM 0 HH TYR A 52 3.269 -9.363 -0.374 1.00 0.00 H new ATOM 825 N HIS A 53 5.196 -1.196 -4.474 1.00 0.00 N ATOM 826 CA HIS A 53 4.658 0.025 -5.112 1.00 0.00 C ATOM 827 C HIS A 53 3.118 0.028 -5.037 1.00 0.00 C ATOM 828 O HIS A 53 2.507 -1.043 -5.008 1.00 0.00 O ATOM 829 CB HIS A 53 5.093 0.127 -6.585 1.00 0.00 C ATOM 830 CG HIS A 53 6.580 0.214 -6.842 1.00 0.00 C ATOM 831 ND1 HIS A 53 7.420 -0.785 -7.350 1.00 0.00 N ATOM 832 CD2 HIS A 53 7.315 1.356 -6.700 1.00 0.00 C ATOM 833 CE1 HIS A 53 8.631 -0.226 -7.492 1.00 0.00 C ATOM 834 NE2 HIS A 53 8.596 1.060 -7.107 1.00 0.00 N ATOM 0 H HIS A 53 5.816 -1.743 -5.071 1.00 0.00 H new ATOM 0 HA HIS A 53 5.057 0.883 -4.572 1.00 0.00 H new ATOM 0 HB2 HIS A 53 4.705 -0.742 -7.117 1.00 0.00 H new ATOM 0 HB3 HIS A 53 4.619 1.006 -7.021 1.00 0.00 H new ATOM 0 HD2 HIS A 53 6.959 2.309 -6.338 1.00 0.00 H new ATOM 0 HE1 HIS A 53 9.508 -0.736 -7.862 1.00 0.00 H new ATOM 0 HE2 HIS A 53 9.384 1.707 -7.115 1.00 0.00 H new ATOM 842 N PHE A 54 2.472 1.204 -5.062 1.00 0.00 N ATOM 843 CA PHE A 54 1.000 1.283 -5.025 1.00 0.00 C ATOM 844 C PHE A 54 0.337 0.386 -6.092 1.00 0.00 C ATOM 845 O PHE A 54 -0.625 -0.315 -5.788 1.00 0.00 O ATOM 846 CB PHE A 54 0.524 2.737 -5.191 1.00 0.00 C ATOM 847 CG PHE A 54 -0.947 2.848 -5.576 1.00 0.00 C ATOM 848 CD1 PHE A 54 -1.963 2.566 -4.640 1.00 0.00 C ATOM 849 CD2 PHE A 54 -1.299 3.131 -6.912 1.00 0.00 C ATOM 850 CE1 PHE A 54 -3.311 2.540 -5.042 1.00 0.00 C ATOM 851 CE2 PHE A 54 -2.647 3.109 -7.312 1.00 0.00 C ATOM 852 CZ PHE A 54 -3.651 2.801 -6.381 1.00 0.00 C ATOM 0 H PHE A 54 2.940 2.109 -5.107 1.00 0.00 H new ATOM 0 HA PHE A 54 0.692 0.915 -4.046 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.690 3.275 -4.258 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.130 3.226 -5.954 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.705 2.369 -3.610 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.529 3.366 -7.632 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -4.085 2.319 -4.322 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -2.910 3.329 -8.336 1.00 0.00 H new ATOM 0 HZ PHE A 54 -4.684 2.764 -6.693 1.00 0.00 H new ATOM 862 N SER A 55 0.869 0.355 -7.323 1.00 0.00 N ATOM 863 CA SER A 55 0.300 -0.440 -8.421 1.00 0.00 C ATOM 864 C SER A 55 0.637 -1.933 -8.310 1.00 0.00 C ATOM 865 O SER A 55 -0.113 -2.765 -8.822 1.00 0.00 O ATOM 866 CB SER A 55 0.681 0.147 -9.788 1.00 0.00 C ATOM 867 OG SER A 55 1.941 -0.315 -10.254 1.00 0.00 O ATOM 0 H SER A 55 1.704 0.879 -7.585 1.00 0.00 H new ATOM 0 HA SER A 55 -0.784 -0.377 -8.331 1.00 0.00 H new ATOM 0 HB2 SER A 55 -0.088 -0.112 -10.516 1.00 0.00 H new ATOM 0 HB3 SER A 55 0.701 1.235 -9.718 1.00 0.00 H new ATOM 0 HG SER A 55 2.134 0.087 -11.127 1.00 0.00 H new ATOM 873 N CYS A 56 1.755 -2.274 -7.658 1.00 0.00 N ATOM 874 CA CYS A 56 2.233 -3.639 -7.471 1.00 0.00 C ATOM 875 C CYS A 56 1.388 -4.430 -6.455 1.00 0.00 C ATOM 876 O CYS A 56 1.151 -5.619 -6.660 1.00 0.00 O ATOM 877 CB CYS A 56 3.707 -3.607 -7.048 1.00 0.00 C ATOM 878 SG CYS A 56 4.796 -3.095 -8.432 1.00 0.00 S ATOM 0 H CYS A 56 2.369 -1.579 -7.233 1.00 0.00 H new ATOM 0 HA CYS A 56 2.133 -4.161 -8.422 1.00 0.00 H new ATOM 0 HB2 CYS A 56 3.831 -2.918 -6.212 1.00 0.00 H new ATOM 0 HB3 CYS A 56 4.006 -4.594 -6.695 1.00 0.00 H new ATOM 0 HG CYS A 56 5.742 -2.327 -7.979 1.00 0.00 H new ATOM 883 N PHE A 57 0.882 -3.786 -5.398 1.00 0.00 N ATOM 884 CA PHE A 57 -0.042 -4.395 -4.427 1.00 0.00 C ATOM 885 C PHE A 57 -1.214 -5.109 -5.125 1.00 0.00 C ATOM 886 O PHE A 57 -1.519 -6.273 -4.849 1.00 0.00 O ATOM 887 CB PHE A 57 -0.558 -3.300 -3.485 1.00 0.00 C ATOM 888 CG PHE A 57 -1.529 -3.813 -2.439 1.00 0.00 C ATOM 889 CD1 PHE A 57 -2.884 -4.006 -2.773 1.00 0.00 C ATOM 890 CD2 PHE A 57 -1.083 -4.122 -1.139 1.00 0.00 C ATOM 891 CE1 PHE A 57 -3.781 -4.525 -1.828 1.00 0.00 C ATOM 892 CE2 PHE A 57 -1.993 -4.604 -0.181 1.00 0.00 C ATOM 893 CZ PHE A 57 -3.338 -4.813 -0.527 1.00 0.00 C ATOM 0 H PHE A 57 1.104 -2.813 -5.187 1.00 0.00 H new ATOM 0 HA PHE A 57 0.495 -5.153 -3.857 1.00 0.00 H new ATOM 0 HB2 PHE A 57 0.290 -2.833 -2.984 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -1.047 -2.525 -4.075 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -3.234 -3.753 -3.763 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -0.043 -3.989 -0.878 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -4.811 -4.703 -2.100 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -1.657 -4.814 0.824 1.00 0.00 H new ATOM 0 HZ PHE A 57 -4.031 -5.195 0.207 1.00 0.00 H new ATOM 903 N TRP A 58 -1.832 -4.439 -6.100 1.00 0.00 N ATOM 904 CA TRP A 58 -2.968 -4.964 -6.862 1.00 0.00 C ATOM 905 C TRP A 58 -2.561 -6.028 -7.903 1.00 0.00 C ATOM 906 O TRP A 58 -3.413 -6.787 -8.365 1.00 0.00 O ATOM 907 CB TRP A 58 -3.726 -3.789 -7.487 1.00 0.00 C ATOM 908 CG TRP A 58 -4.035 -2.660 -6.541 1.00 0.00 C ATOM 909 CD1 TRP A 58 -3.335 -1.508 -6.484 1.00 0.00 C ATOM 910 CD2 TRP A 58 -5.028 -2.564 -5.464 1.00 0.00 C ATOM 911 NE1 TRP A 58 -3.794 -0.719 -5.451 1.00 0.00 N ATOM 912 CE2 TRP A 58 -4.836 -1.319 -4.783 1.00 0.00 C ATOM 913 CE3 TRP A 58 -6.062 -3.398 -4.978 1.00 0.00 C ATOM 914 CZ2 TRP A 58 -5.622 -0.927 -3.689 1.00 0.00 C ATOM 915 CZ3 TRP A 58 -6.850 -3.018 -3.875 1.00 0.00 C ATOM 916 CH2 TRP A 58 -6.629 -1.788 -3.233 1.00 0.00 C ATOM 0 H TRP A 58 -1.553 -3.501 -6.387 1.00 0.00 H new ATOM 0 HA TRP A 58 -3.630 -5.494 -6.178 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -3.139 -3.397 -8.318 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -4.662 -4.160 -7.905 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -2.530 -1.242 -7.153 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -3.409 0.195 -5.212 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -6.251 -4.345 -5.462 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -5.453 0.024 -3.206 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -7.629 -3.676 -3.520 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -7.237 -1.505 -2.386 1.00 0.00 H new ATOM 927 N LYS A 59 -1.261 -6.141 -8.222 1.00 0.00 N ATOM 928 CA LYS A 59 -0.667 -7.239 -9.012 1.00 0.00 C ATOM 929 C LYS A 59 -0.357 -8.474 -8.157 1.00 0.00 C ATOM 930 O LYS A 59 -0.340 -9.584 -8.689 1.00 0.00 O ATOM 931 CB LYS A 59 0.594 -6.765 -9.749 1.00 0.00 C ATOM 932 CG LYS A 59 0.254 -5.669 -10.756 1.00 0.00 C ATOM 933 CD LYS A 59 1.518 -5.140 -11.440 1.00 0.00 C ATOM 934 CE LYS A 59 1.101 -4.002 -12.367 1.00 0.00 C ATOM 935 NZ LYS A 59 0.821 -2.752 -11.615 1.00 0.00 N ATOM 0 H LYS A 59 -0.570 -5.450 -7.929 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.414 -7.536 -9.748 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.322 -6.391 -9.029 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.058 -7.607 -10.263 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.433 -6.060 -11.506 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.259 -4.851 -10.250 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.235 -4.787 -10.699 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.008 -5.933 -12.004 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.891 -3.819 -13.095 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.213 -4.296 -12.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.064 -2.222 -12.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.521 -2.989 -10.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.682 -2.169 -11.578 1.00 0.00 H new ATOM 949 N VAL A 60 -0.149 -8.313 -6.843 1.00 0.00 N ATOM 950 CA VAL A 60 -0.177 -9.440 -5.883 1.00 0.00 C ATOM 951 C VAL A 60 -1.620 -9.952 -5.719 1.00 0.00 C ATOM 952 O VAL A 60 -1.844 -11.155 -5.578 1.00 0.00 O ATOM 953 CB VAL A 60 0.428 -9.058 -4.514 1.00 0.00 C ATOM 954 CG1 VAL A 60 0.579 -10.282 -3.601 1.00 0.00 C ATOM 955 CG2 VAL A 60 1.827 -8.446 -4.627 1.00 0.00 C ATOM 0 H VAL A 60 0.042 -7.409 -6.412 1.00 0.00 H new ATOM 0 HA VAL A 60 0.444 -10.238 -6.290 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.272 -8.330 -4.102 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.008 -9.974 -2.647 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.399 -10.732 -3.431 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.236 -11.011 -4.075 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.198 -8.199 -3.632 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.501 -9.162 -5.098 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.780 -7.540 -5.232 1.00 0.00 H new ATOM 965 N GLY A 61 -2.607 -9.053 -5.831 1.00 0.00 N ATOM 966 CA GLY A 61 -4.025 -9.395 -6.000 1.00 0.00 C ATOM 967 C GLY A 61 -4.821 -9.551 -4.700 1.00 0.00 C ATOM 968 O GLY A 61 -5.852 -10.227 -4.691 1.00 0.00 O ATOM 0 H GLY A 61 -2.438 -8.047 -5.806 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.498 -8.622 -6.606 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.093 -10.327 -6.562 1.00 0.00 H new ATOM 972 N HIS A 62 -4.361 -8.943 -3.601 1.00 0.00 N ATOM 973 CA HIS A 62 -5.105 -8.890 -2.335 1.00 0.00 C ATOM 974 C HIS A 62 -6.338 -7.979 -2.436 1.00 0.00 C ATOM 975 O HIS A 62 -6.295 -6.926 -3.079 1.00 0.00 O ATOM 976 CB HIS A 62 -4.179 -8.450 -1.194 1.00 0.00 C ATOM 977 CG HIS A 62 -3.180 -9.511 -0.813 1.00 0.00 C ATOM 978 ND1 HIS A 62 -3.424 -10.584 0.051 1.00 0.00 N ATOM 979 CD2 HIS A 62 -1.894 -9.589 -1.261 1.00 0.00 C ATOM 980 CE1 HIS A 62 -2.273 -11.277 0.111 1.00 0.00 C ATOM 981 NE2 HIS A 62 -1.341 -10.705 -0.670 1.00 0.00 N ATOM 0 H HIS A 62 -3.458 -8.471 -3.563 1.00 0.00 H new ATOM 0 HA HIS A 62 -5.471 -9.893 -2.117 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -3.647 -7.546 -1.491 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -4.781 -8.193 -0.322 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -1.405 -8.910 -1.944 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -2.119 -12.167 0.703 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -0.387 -11.040 -0.803 1.00 0.00 H new ATOM 989 N SER A 63 -7.432 -8.378 -1.783 1.00 0.00 N ATOM 990 CA SER A 63 -8.723 -7.671 -1.799 1.00 0.00 C ATOM 991 C SER A 63 -8.984 -6.935 -0.488 1.00 0.00 C ATOM 992 O SER A 63 -8.688 -7.436 0.599 1.00 0.00 O ATOM 993 CB SER A 63 -9.878 -8.637 -2.098 1.00 0.00 C ATOM 994 OG SER A 63 -9.721 -9.222 -3.381 1.00 0.00 O ATOM 0 H SER A 63 -7.449 -9.223 -1.212 1.00 0.00 H new ATOM 0 HA SER A 63 -8.668 -6.930 -2.597 1.00 0.00 H new ATOM 0 HB2 SER A 63 -9.912 -9.418 -1.338 1.00 0.00 H new ATOM 0 HB3 SER A 63 -10.827 -8.103 -2.049 1.00 0.00 H new ATOM 0 HG SER A 63 -10.465 -9.836 -3.554 1.00 0.00 H new ATOM 1000 N ILE A 64 -9.570 -5.744 -0.598 1.00 0.00 N ATOM 1001 CA ILE A 64 -9.808 -4.816 0.511 1.00 0.00 C ATOM 1002 C ILE A 64 -11.286 -4.408 0.480 1.00 0.00 C ATOM 1003 O ILE A 64 -11.809 -4.039 -0.575 1.00 0.00 O ATOM 1004 CB ILE A 64 -8.855 -3.601 0.420 1.00 0.00 C ATOM 1005 CG1 ILE A 64 -7.411 -3.969 -0.001 1.00 0.00 C ATOM 1006 CG2 ILE A 64 -8.877 -2.847 1.761 1.00 0.00 C ATOM 1007 CD1 ILE A 64 -6.398 -2.825 0.134 1.00 0.00 C ATOM 0 H ILE A 64 -9.904 -5.384 -1.492 1.00 0.00 H new ATOM 0 HA ILE A 64 -9.596 -5.295 1.467 1.00 0.00 H new ATOM 0 HB ILE A 64 -9.221 -2.955 -0.378 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -7.073 -4.810 0.604 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -7.423 -4.306 -1.037 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -8.208 -1.988 1.707 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -9.891 -2.505 1.969 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.548 -3.513 2.558 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -5.414 -3.171 -0.182 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -6.707 -1.989 -0.493 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -6.352 -2.501 1.174 1.00 0.00 H new ATOM 1019 N ARG A 65 -11.971 -4.520 1.622 1.00 0.00 N ATOM 1020 CA ARG A 65 -13.443 -4.425 1.748 1.00 0.00 C ATOM 1021 C ARG A 65 -13.906 -3.372 2.762 1.00 0.00 C ATOM 1022 O ARG A 65 -15.032 -2.886 2.665 1.00 0.00 O ATOM 1023 CB ARG A 65 -14.068 -5.817 2.011 1.00 0.00 C ATOM 1024 CG ARG A 65 -13.306 -6.723 3.000 1.00 0.00 C ATOM 1025 CD ARG A 65 -12.243 -7.595 2.309 1.00 0.00 C ATOM 1026 NE ARG A 65 -11.048 -7.755 3.154 1.00 0.00 N ATOM 1027 CZ ARG A 65 -10.174 -8.741 3.156 1.00 0.00 C ATOM 1028 NH1 ARG A 65 -10.279 -9.792 2.391 1.00 0.00 N ATOM 1029 NH2 ARG A 65 -9.166 -8.663 3.969 1.00 0.00 N ATOM 0 H ARG A 65 -11.509 -4.684 2.517 1.00 0.00 H new ATOM 0 HA ARG A 65 -13.815 -4.069 0.787 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -15.081 -5.674 2.387 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -14.152 -6.341 1.059 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -12.826 -6.104 3.757 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -14.017 -7.366 3.518 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -12.664 -8.574 2.083 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -11.961 -7.142 1.359 1.00 0.00 H new ATOM 0 HE ARG A 65 -10.874 -7.006 3.824 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -11.068 -9.880 1.750 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -9.572 -10.526 2.434 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -9.067 -7.854 4.583 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -8.472 -9.410 3.994 1.00 0.00 H new ATOM 1043 N HIS A 66 -13.028 -2.962 3.679 1.00 0.00 N ATOM 1044 CA HIS A 66 -13.177 -1.778 4.534 1.00 0.00 C ATOM 1045 C HIS A 66 -11.838 -1.029 4.628 1.00 0.00 C ATOM 1046 O HIS A 66 -11.174 -1.056 5.664 1.00 0.00 O ATOM 1047 CB HIS A 66 -13.867 -2.101 5.882 1.00 0.00 C ATOM 1048 CG HIS A 66 -13.354 -3.229 6.760 1.00 0.00 C ATOM 1049 ND1 HIS A 66 -13.389 -3.228 8.160 1.00 0.00 N ATOM 1050 CD2 HIS A 66 -12.969 -4.473 6.356 1.00 0.00 C ATOM 1051 CE1 HIS A 66 -12.976 -4.447 8.549 1.00 0.00 C ATOM 1052 NE2 HIS A 66 -12.711 -5.215 7.483 1.00 0.00 N ATOM 0 H HIS A 66 -12.158 -3.464 3.855 1.00 0.00 H new ATOM 0 HA HIS A 66 -13.874 -1.079 4.072 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -13.844 -1.191 6.481 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -14.914 -2.313 5.665 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -12.883 -4.813 5.335 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -12.872 -4.763 9.577 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -12.377 -6.179 7.505 1.00 0.00 H new ATOM 1060 N PRO A 67 -11.394 -0.376 3.533 1.00 0.00 N ATOM 1061 CA PRO A 67 -10.020 0.112 3.391 1.00 0.00 C ATOM 1062 C PRO A 67 -9.599 1.161 4.422 1.00 0.00 C ATOM 1063 O PRO A 67 -8.437 1.177 4.814 1.00 0.00 O ATOM 1064 CB PRO A 67 -9.912 0.662 1.959 1.00 0.00 C ATOM 1065 CG PRO A 67 -11.360 0.955 1.575 1.00 0.00 C ATOM 1066 CD PRO A 67 -12.123 -0.153 2.290 1.00 0.00 C ATOM 0 HA PRO A 67 -9.332 -0.713 3.577 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -9.297 1.561 1.921 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -9.458 -0.064 1.284 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -11.675 1.944 1.907 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -11.509 0.919 0.496 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -13.154 0.141 2.485 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -12.159 -1.060 1.686 1.00 0.00 H new ATOM 1074 N ASP A 68 -10.518 1.979 4.936 1.00 0.00 N ATOM 1075 CA ASP A 68 -10.211 2.956 5.988 1.00 0.00 C ATOM 1076 C ASP A 68 -9.868 2.284 7.336 1.00 0.00 C ATOM 1077 O ASP A 68 -9.241 2.895 8.206 1.00 0.00 O ATOM 1078 CB ASP A 68 -11.411 3.909 6.108 1.00 0.00 C ATOM 1079 CG ASP A 68 -11.270 4.945 7.239 1.00 0.00 C ATOM 1080 OD1 ASP A 68 -10.502 5.923 7.081 1.00 0.00 O ATOM 1081 OD2 ASP A 68 -11.973 4.810 8.270 1.00 0.00 O ATOM 0 H ASP A 68 -11.493 1.985 4.638 1.00 0.00 H new ATOM 0 HA ASP A 68 -9.316 3.516 5.715 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -11.543 4.433 5.162 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -12.314 3.322 6.276 1.00 0.00 H new ATOM 1086 N VAL A 69 -10.243 1.009 7.491 1.00 0.00 N ATOM 1087 CA VAL A 69 -9.983 0.169 8.666 1.00 0.00 C ATOM 1088 C VAL A 69 -8.790 -0.763 8.426 1.00 0.00 C ATOM 1089 O VAL A 69 -7.959 -0.953 9.314 1.00 0.00 O ATOM 1090 CB VAL A 69 -11.234 -0.663 9.019 1.00 0.00 C ATOM 1091 CG1 VAL A 69 -11.085 -1.344 10.384 1.00 0.00 C ATOM 1092 CG2 VAL A 69 -12.517 0.182 9.043 1.00 0.00 C ATOM 0 H VAL A 69 -10.760 0.511 6.766 1.00 0.00 H new ATOM 0 HA VAL A 69 -9.743 0.828 9.501 1.00 0.00 H new ATOM 0 HB VAL A 69 -11.319 -1.412 8.232 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -11.983 -1.922 10.602 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -10.221 -2.009 10.367 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -10.945 -0.587 11.155 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -13.366 -0.453 9.297 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -12.419 0.971 9.788 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -12.678 0.628 8.061 1.00 0.00 H new ATOM 1102 N GLU A 70 -8.692 -1.342 7.225 1.00 0.00 N ATOM 1103 CA GLU A 70 -7.709 -2.391 6.897 1.00 0.00 C ATOM 1104 C GLU A 70 -6.374 -1.848 6.387 1.00 0.00 C ATOM 1105 O GLU A 70 -5.340 -2.477 6.614 1.00 0.00 O ATOM 1106 CB GLU A 70 -8.276 -3.344 5.830 1.00 0.00 C ATOM 1107 CG GLU A 70 -9.546 -4.098 6.228 1.00 0.00 C ATOM 1108 CD GLU A 70 -9.999 -5.021 5.084 1.00 0.00 C ATOM 1109 OE1 GLU A 70 -10.644 -4.550 4.115 1.00 0.00 O ATOM 1110 OE2 GLU A 70 -9.721 -6.241 5.145 1.00 0.00 O ATOM 0 H GLU A 70 -9.297 -1.096 6.442 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.520 -2.913 7.835 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.484 -2.769 4.928 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.507 -4.073 5.573 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.362 -4.686 7.127 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.338 -3.389 6.468 1.00 0.00 H new ATOM 1117 N VAL A 71 -6.391 -0.699 5.710 1.00 0.00 N ATOM 1118 CA VAL A 71 -5.205 0.004 5.219 1.00 0.00 C ATOM 1119 C VAL A 71 -4.758 1.014 6.267 1.00 0.00 C ATOM 1120 O VAL A 71 -5.273 2.123 6.392 1.00 0.00 O ATOM 1121 CB VAL A 71 -5.437 0.631 3.845 1.00 0.00 C ATOM 1122 CG1 VAL A 71 -4.079 1.064 3.321 1.00 0.00 C ATOM 1123 CG2 VAL A 71 -6.000 -0.388 2.849 1.00 0.00 C ATOM 0 H VAL A 71 -7.260 -0.216 5.481 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.398 -0.713 5.069 1.00 0.00 H new ATOM 0 HB VAL A 71 -6.144 1.454 3.945 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.197 1.519 2.338 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.639 1.789 4.006 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.425 0.195 3.243 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -6.152 0.093 1.883 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -5.297 -1.213 2.736 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.952 -0.770 3.218 1.00 0.00 H new ATOM 1133 N ASP A 72 -3.754 0.606 7.023 1.00 0.00 N ATOM 1134 CA ASP A 72 -2.998 1.449 7.936 1.00 0.00 C ATOM 1135 C ASP A 72 -2.248 2.557 7.168 1.00 0.00 C ATOM 1136 O ASP A 72 -1.816 2.356 6.037 1.00 0.00 O ATOM 1137 CB ASP A 72 -2.076 0.497 8.696 1.00 0.00 C ATOM 1138 CG ASP A 72 -1.246 1.150 9.801 1.00 0.00 C ATOM 1139 OD1 ASP A 72 -1.697 2.142 10.413 1.00 0.00 O ATOM 1140 OD2 ASP A 72 -0.141 0.623 10.073 1.00 0.00 O ATOM 0 H ASP A 72 -3.429 -0.361 7.018 1.00 0.00 H new ATOM 0 HA ASP A 72 -3.634 1.990 8.637 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -2.680 -0.296 9.136 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.399 0.025 7.984 1.00 0.00 H new ATOM 1145 N GLY A 73 -2.132 3.755 7.737 1.00 0.00 N ATOM 1146 CA GLY A 73 -1.469 4.914 7.118 1.00 0.00 C ATOM 1147 C GLY A 73 -2.326 5.680 6.097 1.00 0.00 C ATOM 1148 O GLY A 73 -2.023 6.832 5.785 1.00 0.00 O ATOM 0 H GLY A 73 -2.504 3.958 8.665 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.165 5.604 7.905 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.559 4.573 6.624 1.00 0.00 H new ATOM 1152 N PHE A 74 -3.462 5.118 5.667 1.00 0.00 N ATOM 1153 CA PHE A 74 -4.497 5.787 4.859 1.00 0.00 C ATOM 1154 C PHE A 74 -4.991 7.097 5.499 1.00 0.00 C ATOM 1155 O PHE A 74 -5.322 8.053 4.799 1.00 0.00 O ATOM 1156 CB PHE A 74 -5.660 4.793 4.726 1.00 0.00 C ATOM 1157 CG PHE A 74 -6.863 5.277 3.944 1.00 0.00 C ATOM 1158 CD1 PHE A 74 -6.929 5.080 2.553 1.00 0.00 C ATOM 1159 CD2 PHE A 74 -7.935 5.897 4.618 1.00 0.00 C ATOM 1160 CE1 PHE A 74 -8.057 5.517 1.838 1.00 0.00 C ATOM 1161 CE2 PHE A 74 -9.056 6.344 3.898 1.00 0.00 C ATOM 1162 CZ PHE A 74 -9.105 6.168 2.508 1.00 0.00 C ATOM 0 H PHE A 74 -3.698 4.148 5.879 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.082 6.063 3.890 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.284 3.887 4.251 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -5.990 4.515 5.727 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -6.115 4.594 2.036 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -7.895 6.029 5.689 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -8.118 5.352 0.772 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -9.876 6.821 4.413 1.00 0.00 H new ATOM 0 HZ PHE A 74 -9.953 6.535 1.950 1.00 0.00 H new ATOM 1172 N SER A 75 -4.972 7.178 6.831 1.00 0.00 N ATOM 1173 CA SER A 75 -5.291 8.383 7.612 1.00 0.00 C ATOM 1174 C SER A 75 -4.346 9.570 7.346 1.00 0.00 C ATOM 1175 O SER A 75 -4.701 10.712 7.641 1.00 0.00 O ATOM 1176 CB SER A 75 -5.241 8.042 9.106 1.00 0.00 C ATOM 1177 OG SER A 75 -6.085 6.938 9.401 1.00 0.00 O ATOM 0 H SER A 75 -4.726 6.382 7.419 1.00 0.00 H new ATOM 0 HA SER A 75 -6.287 8.696 7.299 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.216 7.810 9.396 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.550 8.908 9.692 1.00 0.00 H new ATOM 0 HG SER A 75 -6.037 6.736 10.359 1.00 0.00 H new ATOM 1183 N GLU A 76 -3.155 9.325 6.786 1.00 0.00 N ATOM 1184 CA GLU A 76 -2.150 10.345 6.442 1.00 0.00 C ATOM 1185 C GLU A 76 -2.181 10.751 4.954 1.00 0.00 C ATOM 1186 O GLU A 76 -1.612 11.783 4.583 1.00 0.00 O ATOM 1187 CB GLU A 76 -0.745 9.857 6.842 1.00 0.00 C ATOM 1188 CG GLU A 76 -0.646 9.444 8.319 1.00 0.00 C ATOM 1189 CD GLU A 76 0.821 9.223 8.735 1.00 0.00 C ATOM 1190 OE1 GLU A 76 1.493 10.203 9.141 1.00 0.00 O ATOM 1191 OE2 GLU A 76 1.309 8.069 8.674 1.00 0.00 O ATOM 0 H GLU A 76 -2.852 8.380 6.551 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.402 11.242 7.008 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.470 9.009 6.215 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -0.022 10.648 6.643 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.093 10.215 8.946 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.216 8.529 8.483 1.00 0.00 H new ATOM 1198 N LEU A 77 -2.865 9.981 4.097 1.00 0.00 N ATOM 1199 CA LEU A 77 -3.093 10.332 2.690 1.00 0.00 C ATOM 1200 C LEU A 77 -4.000 11.566 2.578 1.00 0.00 C ATOM 1201 O LEU A 77 -4.921 11.760 3.378 1.00 0.00 O ATOM 1202 CB LEU A 77 -3.695 9.144 1.913 1.00 0.00 C ATOM 1203 CG LEU A 77 -2.680 8.163 1.304 1.00 0.00 C ATOM 1204 CD1 LEU A 77 -1.656 7.617 2.296 1.00 0.00 C ATOM 1205 CD2 LEU A 77 -3.445 7.001 0.671 1.00 0.00 C ATOM 0 H LEU A 77 -3.279 9.088 4.364 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.128 10.573 2.244 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.351 8.589 2.584 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.319 9.537 1.111 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.107 8.724 0.565 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.980 6.934 1.782 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.084 8.442 2.720 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.172 7.084 3.095 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.738 6.295 0.234 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.037 6.496 1.435 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.106 7.382 -0.108 1.00 0.00 H new ATOM 1217 N ARG A 78 -3.763 12.389 1.551 1.00 0.00 N ATOM 1218 CA ARG A 78 -4.644 13.509 1.191 1.00 0.00 C ATOM 1219 C ARG A 78 -5.883 13.030 0.451 1.00 0.00 C ATOM 1220 O ARG A 78 -5.942 11.895 -0.028 1.00 0.00 O ATOM 1221 CB ARG A 78 -3.860 14.591 0.423 1.00 0.00 C ATOM 1222 CG ARG A 78 -2.750 15.232 1.273 1.00 0.00 C ATOM 1223 CD ARG A 78 -3.284 15.750 2.618 1.00 0.00 C ATOM 1224 NE ARG A 78 -2.273 16.547 3.339 1.00 0.00 N ATOM 1225 CZ ARG A 78 -1.325 16.103 4.149 1.00 0.00 C ATOM 1226 NH1 ARG A 78 -1.164 14.839 4.426 1.00 0.00 N ATOM 1227 NH2 ARG A 78 -0.500 16.941 4.708 1.00 0.00 N ATOM 0 H ARG A 78 -2.950 12.298 0.942 1.00 0.00 H new ATOM 0 HA ARG A 78 -5.007 13.973 2.108 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.419 14.149 -0.471 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -4.550 15.366 0.089 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -1.962 14.500 1.453 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -2.299 16.056 0.720 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.172 16.359 2.446 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -3.591 14.906 3.237 1.00 0.00 H new ATOM 0 HE ARG A 78 -2.309 17.556 3.197 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -1.784 14.143 4.012 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -0.418 14.546 5.057 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -0.584 17.940 4.522 1.00 0.00 H new ATOM 0 HH22 ARG A 78 0.230 16.598 5.332 1.00 0.00 H new ATOM 1241 N TRP A 79 -6.894 13.896 0.403 1.00 0.00 N ATOM 1242 CA TRP A 79 -8.262 13.494 0.073 1.00 0.00 C ATOM 1243 C TRP A 79 -8.362 12.806 -1.302 1.00 0.00 C ATOM 1244 O TRP A 79 -9.044 11.795 -1.434 1.00 0.00 O ATOM 1245 CB TRP A 79 -9.216 14.697 0.229 1.00 0.00 C ATOM 1246 CG TRP A 79 -10.137 14.993 -0.918 1.00 0.00 C ATOM 1247 CD1 TRP A 79 -11.432 14.614 -1.017 1.00 0.00 C ATOM 1248 CD2 TRP A 79 -9.845 15.736 -2.142 1.00 0.00 C ATOM 1249 NE1 TRP A 79 -11.958 15.070 -2.213 1.00 0.00 N ATOM 1250 CE2 TRP A 79 -11.022 15.768 -2.948 1.00 0.00 C ATOM 1251 CE3 TRP A 79 -8.697 16.380 -2.652 1.00 0.00 C ATOM 1252 CZ2 TRP A 79 -11.060 16.413 -4.194 1.00 0.00 C ATOM 1253 CZ3 TRP A 79 -8.723 17.030 -3.901 1.00 0.00 C ATOM 1254 CH2 TRP A 79 -9.901 17.048 -4.672 1.00 0.00 C ATOM 0 H TRP A 79 -6.789 14.893 0.591 1.00 0.00 H new ATOM 0 HA TRP A 79 -8.578 12.731 0.784 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -9.825 14.533 1.118 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -8.612 15.585 0.416 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -11.972 14.043 -0.276 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -12.919 14.910 -2.514 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -7.784 16.374 -2.075 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -11.968 16.421 -4.778 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -7.833 17.518 -4.270 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -9.914 17.549 -5.629 1.00 0.00 H new ATOM 1265 N ASP A 80 -7.610 13.277 -2.301 1.00 0.00 N ATOM 1266 CA ASP A 80 -7.603 12.712 -3.656 1.00 0.00 C ATOM 1267 C ASP A 80 -7.023 11.282 -3.718 1.00 0.00 C ATOM 1268 O ASP A 80 -7.444 10.474 -4.544 1.00 0.00 O ATOM 1269 CB ASP A 80 -6.816 13.653 -4.578 1.00 0.00 C ATOM 1270 CG ASP A 80 -6.886 13.219 -6.053 1.00 0.00 C ATOM 1271 OD1 ASP A 80 -7.988 13.270 -6.650 1.00 0.00 O ATOM 1272 OD2 ASP A 80 -5.831 12.866 -6.633 1.00 0.00 O ATOM 0 H ASP A 80 -6.980 14.072 -2.191 1.00 0.00 H new ATOM 0 HA ASP A 80 -8.638 12.628 -3.986 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -7.208 14.665 -4.480 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -5.774 13.683 -4.259 1.00 0.00 H new ATOM 1277 N ASP A 81 -6.081 10.946 -2.830 1.00 0.00 N ATOM 1278 CA ASP A 81 -5.503 9.606 -2.724 1.00 0.00 C ATOM 1279 C ASP A 81 -6.330 8.696 -1.817 1.00 0.00 C ATOM 1280 O ASP A 81 -6.467 7.513 -2.108 1.00 0.00 O ATOM 1281 CB ASP A 81 -4.042 9.635 -2.277 1.00 0.00 C ATOM 1282 CG ASP A 81 -3.110 10.195 -3.356 1.00 0.00 C ATOM 1283 OD1 ASP A 81 -2.983 9.550 -4.426 1.00 0.00 O ATOM 1284 OD2 ASP A 81 -2.472 11.245 -3.108 1.00 0.00 O ATOM 0 H ASP A 81 -5.695 11.608 -2.157 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.527 9.187 -3.730 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -3.953 10.240 -1.375 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -3.725 8.625 -2.016 1.00 0.00 H new ATOM 1289 N GLN A 82 -6.967 9.232 -0.771 1.00 0.00 N ATOM 1290 CA GLN A 82 -8.000 8.496 -0.043 1.00 0.00 C ATOM 1291 C GLN A 82 -9.124 8.067 -1.000 1.00 0.00 C ATOM 1292 O GLN A 82 -9.502 6.897 -1.024 1.00 0.00 O ATOM 1293 CB GLN A 82 -8.538 9.339 1.123 1.00 0.00 C ATOM 1294 CG GLN A 82 -7.531 9.382 2.281 1.00 0.00 C ATOM 1295 CD GLN A 82 -8.031 10.171 3.492 1.00 0.00 C ATOM 1296 OE1 GLN A 82 -8.950 10.980 3.429 1.00 0.00 O ATOM 1297 NE2 GLN A 82 -7.442 9.969 4.649 1.00 0.00 N ATOM 0 H GLN A 82 -6.785 10.169 -0.412 1.00 0.00 H new ATOM 0 HA GLN A 82 -7.561 7.592 0.379 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -8.745 10.352 0.779 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -9.482 8.922 1.473 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -7.301 8.363 2.591 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.600 9.825 1.927 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -6.676 9.300 4.721 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -7.751 10.481 5.475 1.00 0.00 H new ATOM 1306 N GLN A 83 -9.576 8.970 -1.874 1.00 0.00 N ATOM 1307 CA GLN A 83 -10.559 8.668 -2.917 1.00 0.00 C ATOM 1308 C GLN A 83 -10.064 7.616 -3.923 1.00 0.00 C ATOM 1309 O GLN A 83 -10.843 6.736 -4.285 1.00 0.00 O ATOM 1310 CB GLN A 83 -10.958 9.964 -3.644 1.00 0.00 C ATOM 1311 CG GLN A 83 -11.814 10.910 -2.783 1.00 0.00 C ATOM 1312 CD GLN A 83 -13.260 10.452 -2.571 1.00 0.00 C ATOM 1313 OE1 GLN A 83 -13.732 9.448 -3.093 1.00 0.00 O ATOM 1314 NE2 GLN A 83 -14.034 11.175 -1.789 1.00 0.00 N ATOM 0 H GLN A 83 -9.266 9.942 -1.877 1.00 0.00 H new ATOM 0 HA GLN A 83 -11.430 8.236 -2.425 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -10.055 10.488 -3.958 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -11.510 9.709 -4.549 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -11.337 11.024 -1.809 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -11.824 11.895 -3.250 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -13.666 12.015 -1.343 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -15.002 10.895 -1.630 1.00 0.00 H new ATOM 1323 N LYS A 84 -8.789 7.629 -4.348 1.00 0.00 N ATOM 1324 CA LYS A 84 -8.263 6.709 -5.361 1.00 0.00 C ATOM 1325 C LYS A 84 -7.949 5.347 -4.775 1.00 0.00 C ATOM 1326 O LYS A 84 -8.175 4.347 -5.444 1.00 0.00 O ATOM 1327 CB LYS A 84 -7.094 7.351 -6.131 1.00 0.00 C ATOM 1328 CG LYS A 84 -5.691 7.284 -5.520 1.00 0.00 C ATOM 1329 CD LYS A 84 -4.877 6.086 -6.015 1.00 0.00 C ATOM 1330 CE LYS A 84 -3.416 6.135 -5.545 1.00 0.00 C ATOM 1331 NZ LYS A 84 -2.686 7.324 -6.066 1.00 0.00 N ATOM 0 H LYS A 84 -8.093 8.284 -3.993 1.00 0.00 H new ATOM 0 HA LYS A 84 -9.041 6.522 -6.101 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -7.049 6.884 -7.115 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -7.338 8.402 -6.287 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -5.154 8.203 -5.756 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -5.776 7.234 -4.434 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -5.339 5.165 -5.660 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -4.904 6.057 -7.104 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -3.389 6.145 -4.455 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -2.904 5.229 -5.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -1.696 7.067 -6.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -3.136 7.649 -6.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -2.715 8.087 -5.359 1.00 0.00 H new ATOM 1345 N VAL A 85 -7.500 5.279 -3.522 1.00 0.00 N ATOM 1346 CA VAL A 85 -7.246 3.999 -2.840 1.00 0.00 C ATOM 1347 C VAL A 85 -8.568 3.303 -2.498 1.00 0.00 C ATOM 1348 O VAL A 85 -8.700 2.106 -2.754 1.00 0.00 O ATOM 1349 CB VAL A 85 -6.331 4.205 -1.615 1.00 0.00 C ATOM 1350 CG1 VAL A 85 -6.178 2.956 -0.730 1.00 0.00 C ATOM 1351 CG2 VAL A 85 -4.931 4.626 -2.085 1.00 0.00 C ATOM 0 H VAL A 85 -7.302 6.100 -2.950 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.708 3.332 -3.514 1.00 0.00 H new ATOM 0 HB VAL A 85 -6.811 4.976 -1.012 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -5.520 3.183 0.109 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -7.156 2.655 -0.353 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -5.750 2.144 -1.318 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -4.285 4.771 -1.219 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.512 3.848 -2.724 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -5.001 5.558 -2.646 1.00 0.00 H new ATOM 1361 N LYS A 86 -9.596 4.047 -2.049 1.00 0.00 N ATOM 1362 CA LYS A 86 -10.968 3.520 -1.906 1.00 0.00 C ATOM 1363 C LYS A 86 -11.547 3.074 -3.254 1.00 0.00 C ATOM 1364 O LYS A 86 -12.019 1.941 -3.362 1.00 0.00 O ATOM 1365 CB LYS A 86 -11.893 4.555 -1.241 1.00 0.00 C ATOM 1366 CG LYS A 86 -11.570 4.765 0.248 1.00 0.00 C ATOM 1367 CD LYS A 86 -12.496 5.796 0.915 1.00 0.00 C ATOM 1368 CE LYS A 86 -13.902 5.227 1.137 1.00 0.00 C ATOM 1369 NZ LYS A 86 -14.817 6.234 1.735 1.00 0.00 N ATOM 0 H LYS A 86 -9.501 5.025 -1.776 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.909 2.644 -1.261 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -11.805 5.506 -1.766 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -12.928 4.230 -1.342 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.655 3.813 0.772 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -10.535 5.093 0.349 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -12.072 6.103 1.871 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -12.558 6.688 0.292 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -14.310 4.885 0.186 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -13.843 4.356 1.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -15.758 5.812 1.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -14.441 6.542 2.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -14.894 7.054 1.100 1.00 0.00 H new ATOM 1383 N LYS A 87 -11.440 3.910 -4.297 1.00 0.00 N ATOM 1384 CA LYS A 87 -11.906 3.593 -5.661 1.00 0.00 C ATOM 1385 C LYS A 87 -11.215 2.352 -6.226 1.00 0.00 C ATOM 1386 O LYS A 87 -11.882 1.481 -6.771 1.00 0.00 O ATOM 1387 CB LYS A 87 -11.745 4.809 -6.580 1.00 0.00 C ATOM 1388 CG LYS A 87 -12.336 4.541 -7.973 1.00 0.00 C ATOM 1389 CD LYS A 87 -12.491 5.856 -8.738 1.00 0.00 C ATOM 1390 CE LYS A 87 -13.046 5.596 -10.145 1.00 0.00 C ATOM 1391 NZ LYS A 87 -13.222 6.860 -10.906 1.00 0.00 N ATOM 0 H LYS A 87 -11.023 4.837 -4.219 1.00 0.00 H new ATOM 0 HA LYS A 87 -12.968 3.354 -5.606 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -12.239 5.672 -6.134 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -10.688 5.059 -6.673 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -11.688 3.863 -8.528 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -13.304 4.050 -7.878 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -13.160 6.523 -8.194 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -11.526 6.359 -8.808 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -12.369 4.935 -10.687 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -14.003 5.080 -10.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -13.598 6.646 -11.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -13.887 7.480 -10.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -12.304 7.340 -10.999 1.00 0.00 H new ATOM 1405 N THR A 88 -9.904 2.220 -6.039 1.00 0.00 N ATOM 1406 CA THR A 88 -9.120 1.073 -6.522 1.00 0.00 C ATOM 1407 C THR A 88 -9.481 -0.225 -5.791 1.00 0.00 C ATOM 1408 O THR A 88 -9.522 -1.288 -6.413 1.00 0.00 O ATOM 1409 CB THR A 88 -7.612 1.345 -6.433 1.00 0.00 C ATOM 1410 OG1 THR A 88 -7.286 2.508 -7.159 1.00 0.00 O ATOM 1411 CG2 THR A 88 -6.817 0.235 -7.101 1.00 0.00 C ATOM 0 H THR A 88 -9.344 2.913 -5.542 1.00 0.00 H new ATOM 0 HA THR A 88 -9.380 0.939 -7.572 1.00 0.00 H new ATOM 0 HB THR A 88 -7.373 1.431 -5.373 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.657 3.293 -6.704 1.00 0.00 H new ATOM 0 HG21 THR A 88 -5.752 0.453 -7.023 1.00 0.00 H new ATOM 0 HG22 THR A 88 -7.030 -0.713 -6.607 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.098 0.168 -8.152 1.00 0.00 H new ATOM 1419 N ALA A 89 -9.821 -0.144 -4.502 1.00 0.00 N ATOM 1420 CA ALA A 89 -10.243 -1.288 -3.707 1.00 0.00 C ATOM 1421 C ALA A 89 -11.627 -1.792 -4.146 1.00 0.00 C ATOM 1422 O ALA A 89 -11.824 -3.005 -4.248 1.00 0.00 O ATOM 1423 CB ALA A 89 -10.213 -0.888 -2.231 1.00 0.00 C ATOM 0 H ALA A 89 -9.809 0.732 -3.979 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.558 -2.122 -3.861 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -10.527 -1.733 -1.618 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.200 -0.595 -1.954 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -10.891 -0.050 -2.067 1.00 0.00 H new ATOM 1429 N GLU A 90 -12.560 -0.891 -4.493 1.00 0.00 N ATOM 1430 CA GLU A 90 -13.857 -1.317 -5.049 1.00 0.00 C ATOM 1431 C GLU A 90 -13.787 -1.719 -6.532 1.00 0.00 C ATOM 1432 O GLU A 90 -14.543 -2.584 -6.981 1.00 0.00 O ATOM 1433 CB GLU A 90 -14.984 -0.306 -4.794 1.00 0.00 C ATOM 1434 CG GLU A 90 -14.819 1.060 -5.464 1.00 0.00 C ATOM 1435 CD GLU A 90 -16.056 1.946 -5.221 1.00 0.00 C ATOM 1436 OE1 GLU A 90 -17.026 1.872 -6.015 1.00 0.00 O ATOM 1437 OE2 GLU A 90 -16.070 2.727 -4.238 1.00 0.00 O ATOM 0 H GLU A 90 -12.446 0.118 -4.402 1.00 0.00 H new ATOM 0 HA GLU A 90 -14.109 -2.221 -4.495 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -15.923 -0.744 -5.132 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -15.073 -0.153 -3.718 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -13.930 1.555 -5.074 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -14.666 0.928 -6.535 1.00 0.00 H new ATOM 1444 N ALA A 91 -12.843 -1.145 -7.280 1.00 0.00 N ATOM 1445 CA ALA A 91 -12.552 -1.490 -8.670 1.00 0.00 C ATOM 1446 C ALA A 91 -11.868 -2.868 -8.832 1.00 0.00 C ATOM 1447 O ALA A 91 -11.777 -3.384 -9.949 1.00 0.00 O ATOM 1448 CB ALA A 91 -11.690 -0.367 -9.270 1.00 0.00 C ATOM 0 H ALA A 91 -12.241 -0.403 -6.922 1.00 0.00 H new ATOM 0 HA ALA A 91 -13.497 -1.579 -9.206 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -11.459 -0.601 -10.309 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -12.236 0.575 -9.223 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -10.763 -0.278 -8.703 1.00 0.00 H new ATOM 1454 N GLY A 92 -11.385 -3.468 -7.736 1.00 0.00 N ATOM 1455 CA GLY A 92 -10.693 -4.763 -7.735 1.00 0.00 C ATOM 1456 C GLY A 92 -9.241 -4.700 -8.231 1.00 0.00 C ATOM 1457 O GLY A 92 -8.732 -5.696 -8.751 1.00 0.00 O ATOM 0 H GLY A 92 -11.466 -3.058 -6.806 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -10.702 -5.167 -6.723 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -11.249 -5.460 -8.361 1.00 0.00 H new ATOM 1461 N GLY A 93 -8.579 -3.546 -8.090 1.00 0.00 N ATOM 1462 CA GLY A 93 -7.188 -3.321 -8.481 1.00 0.00 C ATOM 1463 C GLY A 93 -7.005 -2.403 -9.693 1.00 0.00 C ATOM 1464 O GLY A 93 -7.819 -2.386 -10.619 1.00 0.00 O ATOM 0 H GLY A 93 -9.014 -2.716 -7.686 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -6.651 -2.893 -7.634 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -6.726 -4.284 -8.698 1.00 0.00 H new